(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol

C18H23NO — CID 54165466

IUPAC(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
SMILESCc1cccc(C[C@@H](C)NC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-7-6-8-16(11-14)12-15(2)19-13-18(20)17-9-4-3-5-10-17/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyORIPGXQCXQGQCW-QAPCUYQASA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds6

About (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol

(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol (PubChem CID 54165466) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
PubChem CID54165466
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
SMILESCc1cccc(C[C@@H](C)NC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-7-6-8-16(11-14)12-15(2)19-13-18(20)17-9-4-3-5-10-17/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyORIPGXQCXQGQCW-QAPCUYQASA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
CID 23322164
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
CID 154335865
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
5-[(1S)-2-[[(2R)-1-(3-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 123133226
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70002975
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
CID 70559473

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol (CID 54165466) is (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol is Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol?
The InChIKey is ORIPGXQCXQGQCW-QAPCUYQASA-N. The full InChI is InChI=1S/C18H23NO/c1-14-7-6-8-16(11-14)12-15(2)19-13-18(20)17-9-4-3-5-10-17/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol?
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol has a molecular weight of 269.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol is sourced from PubChem (CID 54165466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).