(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol

C18H23NO — CID 28635005

IUPAC(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
SMILESCc1cccc(CCN(C)C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-7-6-8-16(13-15)11-12-19(2)14-18(20)17-9-4-3-5-10-17/h3-10,13,18,20H,11-12,14H2,1-2H3/t18-/m0/s1
InChIKeyGYOOEFAGIAORMX-SFHVURJKSA-N
MW269.39 g/mol
LogP3.20
Rot. Bonds6

About (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol

(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol (PubChem CID 28635005) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
PubChem CID28635005
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
SMILESCc1cccc(CCN(C)C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-7-6-8-16(13-15)11-12-19(2)14-18(20)17-9-4-3-5-10-17/h3-10,13,18,20H,11-12,14H2,1-2H3/t18-/m0/s1
InChIKeyGYOOEFAGIAORMX-SFHVURJKSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
(E)-but-2-enedioic acid;5-[1-hydroxy-2-[methyl(2-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 68962996
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2,2-dimethyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoic acid
CID 115136684
2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol
CID 46006776
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol (CID 28635005) is (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol is Cc1cccc(CCN(C)C[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol?
The InChIKey is GYOOEFAGIAORMX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-7-6-8-16(13-15)11-12-19(2)14-18(20)17-9-4-3-5-10-17/h3-10,13,18,20H,11-12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol?
(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol has a molecular weight of 269.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol is sourced from PubChem (CID 28635005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).