(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol

C15H17NO — CID 164669380

IUPAC(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol
SMILESCc1cccc([C@](C)(O)c2ccccc2)c1N
InChIInChI=1S/C15H17NO/c1-11-7-6-10-13(14(11)16)15(2,17)12-8-4-3-5-9-12/h3-10,17H,16H2,1-2H3/t15-/m1/s1
InChIKeyBSEQMMUWJRKUEJ-OAHLLOKOSA-N
MW227.31 g/mol
LogP2.83
Rot. Bonds2

About (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol

(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol (PubChem CID 164669380) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol.

Molecular Properties

Compound Name(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol
PubChem CID164669380
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol
SMILESCc1cccc([C@](C)(O)c2ccccc2)c1N
InChIInChI=1S/C15H17NO/c1-11-7-6-10-13(14(11)16)15(2,17)12-8-4-3-5-9-12/h3-10,17H,16H2,1-2H3/t15-/m1/s1
InChIKeyBSEQMMUWJRKUEJ-OAHLLOKOSA-N
XLogP2.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
CID 164671387
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168
1-anthracen-1-yl-1-phenylethanol
CID 2793943
2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
CID 10562254
1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 62548527
1-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)ethanol
CID 114520751
1-(2-anilinophenyl)-1-phenylethanol
CID 70861869
1-(3-cyclobutylphenyl)-1-(2-methylphenyl)ethanol
CID 114601070
(1S)-1-(3,4-diaminophenyl)-1-phenylethanol
CID 124563063
N-[2-(1-hydroxy-1-phenylethyl)phenyl]formamide
CID 13167683

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol?
The IUPAC name of (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol (CID 164669380) is (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol.
What is the SMILES notation for (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol?
The canonical SMILES for (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol is Cc1cccc([C@](C)(O)c2ccccc2)c1N.
What is the InChIKey of (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol?
The InChIKey is BSEQMMUWJRKUEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-7-6-10-13(14(11)16)15(2,17)12-8-4-3-5-9-12/h3-10,17H,16H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol?
(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol has a molecular weight of 227.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol is sourced from PubChem (CID 164669380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).