(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol

C14H13ClFNO2 — CID 129394991

IUPAC(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2cc(F)ccc2N)c1Cl
InChIInChI=1S/C14H13ClFNO2/c1-19-12-4-2-3-9(13(12)15)14(18)10-7-8(16)5-6-11(10)17/h2-7,14,18H,17H2,1H3/t14-/m1/s1
InChIKeyKTXDKQHMIMXIMI-CQSZACIVSA-N
MW281.71 g/mol
LogP3.15
Rot. Bonds3

About (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol

(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol (PubChem CID 129394991) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
PubChem CID129394991
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2cc(F)ccc2N)c1Cl
InChIInChI=1S/C14H13ClFNO2/c1-19-12-4-2-3-9(13(12)15)14(18)10-7-8(16)5-6-11(10)17/h2-7,14,18H,17H2,1H3/t14-/m1/s1
InChIKeyKTXDKQHMIMXIMI-CQSZACIVSA-N
XLogP3.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.15
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-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129395304
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2,5-difluorophenyl)-(2-methoxyphenyl)methanol
CID 61100106
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266

Frequently Asked Questions

What is the IUPAC name of (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol?
The IUPAC name of (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol (CID 129394991) is (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol is COc1cccc([C@@H](O)c2cc(F)ccc2N)c1Cl.
What is the InChIKey of (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol?
The InChIKey is KTXDKQHMIMXIMI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-19-12-4-2-3-9(13(12)15)14(18)10-7-8(16)5-6-11(10)17/h2-7,14,18H,17H2,1H3/t14-/m1/s1.
What are the key properties of (S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol?
(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol has a molecular weight of 281.71 g/mol, XLogP of 3.15, 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)-(2-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 129394991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).