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

C15H14ClF2NO2 — CID 81265393

IUPAC(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cccc(Cl)c2F)cc1OC
InChIInChI=1S/C15H14ClF2NO2/c1-20-12-6-9(11(17)7-13(12)21-2)15(19)8-4-3-5-10(16)14(8)18/h3-7,15H,19H2,1-2H3
InChIKeyCBQPIEWZHUMUOE-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.68
Rot. Bonds4

About (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 81265393) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID81265393
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cccc(Cl)c2F)cc1OC
InChIInChI=1S/C15H14ClF2NO2/c1-20-12-6-9(11(17)7-13(12)21-2)15(19)8-4-3-5-10(16)14(8)18/h3-7,15H,19H2,1-2H3
InChIKeyCBQPIEWZHUMUOE-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

(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
1-[chloro-(3-chloro-2-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 107099241
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 43330575
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 81265393) is (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is COc1cc(F)c(C(N)c2cccc(Cl)c2F)cc1OC.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is CBQPIEWZHUMUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-20-12-6-9(11(17)7-13(12)21-2)15(19)8-4-3-5-10(16)14(8)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(3-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 (3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 81265393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).