(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol

C15H17NO — CID 799505

IUPAC(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
SMILESCc1cc(C)c(N)c([C@@H](O)c2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-10-8-11(2)14(16)13(9-10)15(17)12-6-4-3-5-7-12/h3-9,15,17H,16H2,1-2H3/t15-/m0/s1
InChIKeyCZONEUUVGUPQSP-HNNXBMFYSA-N
MW227.31 g/mol
LogP2.97
Rot. Bonds2

About (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol

(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol (PubChem CID 799505) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
PubChem CID799505
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
SMILESCc1cc(C)c(N)c([C@@H](O)c2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-10-8-11(2)14(16)13(9-10)15(17)12-6-4-3-5-7-12/h3-9,15,17H,16H2,1-2H3/t15-/m0/s1
InChIKeyCZONEUUVGUPQSP-HNNXBMFYSA-N
XLogP2.97
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 ≤ 52.97
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

(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(4-amino-3-benzhydryl-5-methylphenyl)methanediol
CID 68628796
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
(2-amino-3-methylphenyl)-(4-methylphenyl)methanol
CID 105484724
4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol
CID 171481741
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
CID 171868212
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287

Frequently Asked Questions

What is the IUPAC name of (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol?
The IUPAC name of (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol (CID 799505) is (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol.
What is the SMILES notation for (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol?
The canonical SMILES for (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol is Cc1cc(C)c(N)c([C@@H](O)c2ccccc2)c1.
What is the InChIKey of (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol?
The InChIKey is CZONEUUVGUPQSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-8-11(2)14(16)13(9-10)15(17)12-6-4-3-5-7-12/h3-9,15,17H,16H2,1-2H3/t15-/m0/s1.
What are the key properties of (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol?
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol has a molecular weight of 227.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol is sourced from PubChem (CID 799505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).