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

C15H16FNO2 — CID 129394511

IUPAC(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
SMILESCOc1cccc([C@H](O)c2cc(F)ccc2N)c1C
InChIInChI=1S/C15H16FNO2/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
InChIKeyBMYOKHIGQUPWQR-HNNXBMFYSA-N
MW261.30 g/mol
LogP2.81
Rot. Bonds3

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

(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol (PubChem CID 129394511) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
PubChem CID129394511
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
SMILESCOc1cccc([C@H](O)c2cc(F)ccc2N)c1C
InChIInChI=1S/C15H16FNO2/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
InChIKeyBMYOKHIGQUPWQR-HNNXBMFYSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.81
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)-(2-chloro-3-methoxyphenyl)methanol
CID 129394991
(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129395304
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2,5-difluorophenyl)-(2-methoxyphenyl)methanol
CID 61100106
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol
CID 82684351
(2-amino-5-fluorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 82684354
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991

Frequently Asked Questions

What is the IUPAC name of (S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol?
The IUPAC name of (S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol (CID 129394511) is (S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for (S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol?
The canonical SMILES for (S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol is COc1cccc([C@H](O)c2cc(F)ccc2N)c1C.
What is the InChIKey of (S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol?
The InChIKey is BMYOKHIGQUPWQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16FNO2/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-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol?
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol has a molecular weight of 261.30 g/mol, XLogP of 2.81, 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-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 129394511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).