(R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol

C₁₇H₂₁NOCAS 86695-06-9255.36 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₁₇H₂₁NO
Molar mass: 255.36 g/mol
Exact mass: 255.1623 Da
logP: 2.91Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

86695-06-9

SMILES

CC(C)[C@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N

InChIKey

LNQVZZGGOZBOQS-MRXNPFEDSA-N

InChI

InChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m1/s1

Weigh it out

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

Work with (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol78603-95-9Enantiomer

Similar compounds

α-[(1S)-1-Aminoethyl]-α-phenylbenzenemethanol78603-91-561 % similar (2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-048 % similar (R)-(+)-1,1,2-Triphenyl-1,2-ethanediol95061-46-448 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-047 % similar ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)93379-48-744 % similar (S,S)-TADDOL93379-49-844 % similar Azacyclonol115-46-841 % similar (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine43229-65-8 Diphenhydramine58-73-1 Atomoxetine83015-26-3

Elsewhere

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