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

C14H12ClF2NO — CID 82808026

IUPAC(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(Cl)c2F)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-11-7-3-5-9(13(11)17)14(18)8-4-2-6-10(15)12(8)16/h2-7,14H,18H2,1H3
InChIKeyCROLMRQEAVOKBL-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.67
Rot. Bonds3

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

(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 82808026) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID82808026
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(Cl)c2F)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-11-7-3-5-9(13(11)17)14(18)8-4-2-6-10(15)12(8)16/h2-7,14H,18H2,1H3
InChIKeyCROLMRQEAVOKBL-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

(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 82808026) is (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cccc(Cl)c2F)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is CROLMRQEAVOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-11-7-3-5-9(13(11)17)14(18)8-4-2-6-10(15)12(8)16/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(3-chloro-2-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 (3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 82808026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).