(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

C14H12ClF2NO — CID 107994800

IUPAC(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-12-4-2-3-9(13(12)17)14(18)8-5-6-10(15)11(16)7-8/h2-7,14H,18H2,1H3
InChIKeyLYVGZZPNVPKFBH-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.67
Rot. Bonds3

About (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 107994800) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID107994800
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-12-4-2-3-9(13(12)17)14(18)8-5-6-10(15)11(16)7-8/h2-7,14H,18H2,1H3
InChIKeyLYVGZZPNVPKFBH-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

(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 107994800) is (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccc(Cl)c(F)c2)c1F.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is LYVGZZPNVPKFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-12-4-2-3-9(13(12)17)14(18)8-5-6-10(15)11(16)7-8/h2-7,14H,18H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)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-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 107994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).