(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

C14H12ClF2N — CID 82822372

IUPAC(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cccc(Cl)c2)c1F
InChIInChI=1S/C14H12ClF2N/c1-8-5-6-11(16)12(13(8)17)14(18)9-3-2-4-10(15)7-9/h2-7,14H,18H2,1H3
InChIKeyCZCPWCYWJCVIIW-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.97
Rot. Bonds2

About (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 82822372) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID82822372
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cccc(Cl)c2)c1F
InChIInChI=1S/C14H12ClF2N/c1-8-5-6-11(16)12(13(8)17)14(18)9-3-2-4-10(15)7-9/h2-7,14H,18H2,1H3
InChIKeyCZCPWCYWJCVIIW-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013679
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82819096
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (CID 82822372) is (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2cccc(Cl)c2)c1F.
What is the InChIKey of (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is CZCPWCYWJCVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-5-6-11(16)12(13(8)17)14(18)9-3-2-4-10(15)7-9/h2-7,14H,18H2,1H3.
What are the key properties of (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 267.71 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 82822372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).