(R)-2-Isopropylamino-2-phenylethanol

C₁₁H₁₇NOCAS 112211-92-4179.26 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₁H₁₇NO
Molar mass: 179.26 g/mol
Exact mass: 179.1310 Da
logP: 1.72Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

112211-92-4

SMILES

CC(C)N[C@@H](CO)C1=CC=CC=C1

InChIKey

XFSCVCVPECOHBL-NSHDSACASA-N

InChI

InChI=1S/C11H17NO/c1-9(2)12-11(8-13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-/m0/s1

Weigh it out

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

Work with (R)-2-Isopropylamino-2-phenylethanol

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-Phenyl-1-propanol1123-85-957 % similar 2-Phenyl-1-propanol98103-87-857 % similar 2-Phenyl-1,3-propanediol1570-95-247 % similar Boc-L-phenylglycinol117049-14-644 % similar 1-Phenyl-1,2-ethanediol7138-28-544 % similar 1-Phenyl-1,2-ethanediol93-56-144 % similar (+)-Phenylglycinol20989-17-742 % similar (-)-Phenylglycinol56613-80-042 % similar

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

Same formula

2-(Benzylamino)-2-methylpropan-1-ol10250-27-8 Mexiletine31828-71-4 Tricyclo[3.3.1.13,7]decane-1-carboxamide5511-18-2 N-Methylephedrine552-79-4 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-3

Elsewhere

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