(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol

C16H19NO — CID 51681134

IUPAC(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
SMILESCc1cccc(CNC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-13-6-5-7-14(10-13)11-17-12-16(18)15-8-3-2-4-9-15/h2-10,16-18H,11-12H2,1H3/t16-/m0/s1
InChIKeyHIGWJXIRANBZJL-INIZCTEOSA-N
MW241.33 g/mol
LogP2.82
Rot. Bonds5

About (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol

(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol (PubChem CID 51681134) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
PubChem CID51681134
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
SMILESCc1cccc(CNC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-13-6-5-7-14(10-13)11-17-12-16(18)15-8-3-2-4-9-15/h2-10,16-18H,11-12H2,1H3/t16-/m0/s1
InChIKeyHIGWJXIRANBZJL-INIZCTEOSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993677
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
CID 77044102
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
CID 115692952
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol (CID 51681134) is (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol is Cc1cccc(CNC[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol?
The InChIKey is HIGWJXIRANBZJL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-6-5-7-14(10-13)11-17-12-16(18)15-8-3-2-4-9-15/h2-10,16-18H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol?
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol has a molecular weight of 241.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 51681134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).