(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine

C14H12ClF2NO — CID 115862069

IUPAC(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cccc(F)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-12-7-8(15)5-6-9(12)14(18)10-3-2-4-11(16)13(10)17/h2-7,14H,18H2,1H3
InChIKeyDIXBUJJKZSPRHU-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.67
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine

(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine (PubChem CID 115862069) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
PubChem CID115862069
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cccc(F)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-12-7-8(15)5-6-9(12)14(18)10-3-2-4-11(16)13(10)17/h2-7,14H,18H2,1H3
InChIKeyDIXBUJJKZSPRHU-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine (CID 115862069) is (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine is COc1cc(Cl)ccc1C(N)c1cccc(F)c1F.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine?
The InChIKey is DIXBUJJKZSPRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-12-7-8(15)5-6-9(12)14(18)10-3-2-4-11(16)13(10)17/h2-7,14H,18H2,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine?
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine has a molecular weight of 283.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 115862069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).