(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol

C20H19NO — CID 100804158

IUPAC(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C20H19NO/c1-14-7-8-18(13-19(14)21)20(22)17-11-9-16(10-12-17)15-5-3-2-4-6-15/h2-13,20,22H,21H2,1H3/t20-/m0/s1
InChIKeyLXMFHJSDSTZMQH-FQEVSTJZSA-N
MW289.38 g/mol
LogP4.33
Rot. Bonds3

About (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol

(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol (PubChem CID 100804158) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol
PubChem CID100804158
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C20H19NO/c1-14-7-8-18(13-19(14)21)20(22)17-11-9-16(10-12-17)15-5-3-2-4-6-15/h2-13,20,22H,21H2,1H3/t20-/m0/s1
InChIKeyLXMFHJSDSTZMQH-FQEVSTJZSA-N
XLogP4.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.33
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

(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(R)-(3-amino-2-methylphenyl)-(4-phenylphenyl)methanol
CID 100804157
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
CID 91678464
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991

Frequently Asked Questions

What is the IUPAC name of (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol?
The IUPAC name of (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol (CID 100804158) is (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol.
What is the SMILES notation for (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol?
The canonical SMILES for (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol is Cc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N.
What is the InChIKey of (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol?
The InChIKey is LXMFHJSDSTZMQH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NO/c1-14-7-8-18(13-19(14)21)20(22)17-11-9-16(10-12-17)15-5-3-2-4-6-15/h2-13,20,22H,21H2,1H3/t20-/m0/s1.
What are the key properties of (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol?
(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol has a molecular weight of 289.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol is sourced from PubChem (CID 100804158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).