(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

C15H14ClF2NO2 — CID 62865509

IUPAC(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(Cl)cc2F)cc1OC
InChIInChI=1S/C15H14ClF2NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyHVODWOGDSKZRJH-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.68
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 62865509) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID62865509
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(Cl)cc2F)cc1OC
InChIInChI=1S/C15H14ClF2NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyHVODWOGDSKZRJH-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(4-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197230
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 62865509) is (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is COc1cc(F)c(C(N)c2ccc(Cl)cc2F)cc1OC.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is HVODWOGDSKZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 313.73 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 62865509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).