chempirical

(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol

C17H21NOCAS 78603-95-9255.36 g/mol

Open in Covalent MOL file
OHH2N
AlcoholPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
78603-95-9
SMILES
CC(C)[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
InChIKey
LNQVZZGGOZBOQS-INIZCTEOSA-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-/m0/s1

Weigh it out

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

Work with (S)-(-)-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.

(R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol86695-06-9Enantiomer

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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