(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol

C15H16ClNO2 — CID 129395304

IUPAC(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
SMILESCOc1cccc([C@H](O)c2cc(Cl)ccc2N)c1C
InChIInChI=1S/C15H16ClNO2/c1-9-11(4-3-5-14(9)19-2)15(18)12-8-10(16)6-7-13(12)17/h3-8,15,18H,17H2,1-2H3/t15-/m0/s1
InChIKeyQQSJXKMVQBAEQM-HNNXBMFYSA-N
MW277.75 g/mol
LogP3.32
Rot. Bonds3

About (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol

(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol (PubChem CID 129395304) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
PubChem CID129395304
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
SMILESCOc1cccc([C@H](O)c2cc(Cl)ccc2N)c1C
InChIInChI=1S/C15H16ClNO2/c1-9-11(4-3-5-14(9)19-2)15(18)12-8-10(16)6-7-13(12)17/h3-8,15,18H,17H2,1-2H3/t15-/m0/s1
InChIKeyQQSJXKMVQBAEQM-HNNXBMFYSA-N
XLogP3.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.32
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

(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129394991
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(R)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 129389406
(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 129389407
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791

Frequently Asked Questions

What is the IUPAC name of (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol?
The IUPAC name of (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol (CID 129395304) is (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol?
The canonical SMILES for (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol is COc1cccc([C@H](O)c2cc(Cl)ccc2N)c1C.
What is the InChIKey of (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol?
The InChIKey is QQSJXKMVQBAEQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-11(4-3-5-14(9)19-2)15(18)12-8-10(16)6-7-13(12)17/h3-8,15,18H,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol?
(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol has a molecular weight of 277.75 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 129395304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).