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

C20H19NO2 — CID 100804164

IUPAC(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C20H19NO2/c1-23-19-12-11-17(13-18(19)21)20(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,20,22H,21H2,1H3/t20-/m0/s1
InChIKeySRWGVFZXZFTPJL-FQEVSTJZSA-N
MW305.38 g/mol
LogP4.03
Rot. Bonds4

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

(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol (PubChem CID 100804164) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
PubChem CID100804164
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C20H19NO2/c1-23-19-12-11-17(13-18(19)21)20(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,20,22H,21H2,1H3/t20-/m0/s1
InChIKeySRWGVFZXZFTPJL-FQEVSTJZSA-N
XLogP4.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol
CID 100804158
(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
CID 100804058
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978

Frequently Asked Questions

What is the IUPAC name of (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol?
The IUPAC name of (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol (CID 100804164) is (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol.
What is the SMILES notation for (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol?
The canonical SMILES for (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol is COc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N.
What is the InChIKey of (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol?
The InChIKey is SRWGVFZXZFTPJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-19-12-11-17(13-18(19)21)20(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,20,22H,21H2,1H3/t20-/m0/s1.
What are the key properties of (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol?
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol has a molecular weight of 305.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol is sourced from PubChem (CID 100804164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).