3-Methoxy-N-methylbenzylamine 97

C9H13NOCAS 41789-95-1151.21 g/mol

Open in Covalent MOL file
NHO
EtherSecondary amine

Properties

Molecular formula
C9H13NO
Molar mass
151.21 g/mol
Exact mass
151.0997 Da
logP
1.41Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
41789-95-1
SMILES
CNCC1=CC(=CC=C1)OC
InChIKey
FIFKRPFWLHBMHL-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3

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Names and synonyms

1 names
  • 3-Methoxy-N-methylbenzylamine

Work with 3-Methoxy-N-methylbenzylamine 97

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

3-Methoxybenzyl alcohol6971-51-363 % similar N-Methyl-4-methoxybenzylamine702-24-961 % similar 3-Methoxybenzeneethanol5020-41-759 % similar 3-Methoxybenzylamine5071-96-558 % similar 3-Methoxybenzyl chloride824-98-658 % similar 3-Methoxybenzyl bromide874-98-658 % similar (3-Fluorobenzyl)methylamine90389-84-755 % similar 1,3-Dimethoxybenzene151-10-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-p-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 3-Methoxy-N,N-dimethylbenzenamine15799-79-8 Phenylalaninol16088-07-6 4-(Dimethylamino)benzyl alcohol1703-46-4 (R)-3-Amino-3-phenylpropan-1-ol170564-98-4 3-Methoxyphenethylamine2039-67-0

Elsewhere

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