4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine

C₁₇H₂₁NOCAS 43229-65-8255.36 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₇H₂₁NO
Molar mass: 255.36 g/mol
Exact mass: 255.1623 Da
logP: 3.42Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed45.5% of notifiers
H302 Harmful if swallowed45.5% of notifiers
H314 Causes severe skin burns and eye damage36.4% of notifiers
H411 Toxic to aquatic life with long lasting effects54.5% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

43229-65-8

SMILES

COc1ccc(CC(C)NCc2ccccc2)cc1

InChIKey

CVGPWMGXKOKNFD-UHFFFAOYSA-N

InChI

InChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

4-Methoxy-α-methyl-N-(phenylmethyl)benzeneethanamine
Benzeneethanamine, 4-methoxy-α-methyl-N-(phenylmethyl)-
Phenethylamine, N-benzyl-p-methoxy-α-methyl-
N-Benzyl-4-methoxy-α-methylbenzeneethanamine
1-(4-Methoxyphenyl)-2-(benzylamino)propane

Work with 4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Ethylamino-1-(4′-methoxyphenyl)propane14367-46-566 % similar N-Benzyl-4-methoxyaniline17377-95-654 % similar Bis(4-methoxybenzyl)amine17061-62-050 % similar Methamphetamine537-46-247 % similar N-Methyl-4-methoxybenzylamine702-24-947 % similar 4-Benzyloxyanisole6630-18-846 % similar Bis(4-methoxybenzyl)amine hcl salt854391-95-046 % similar Isopropylbenzylamine102-97-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diphenhydramine58-73-1 (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol78603-95-9 Atomoxetine83015-26-3 (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol86695-06-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook