[2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine

C14H12ClF2N — CID 114077096

IUPAC[2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine
SMILESCc1cc(F)c(-c2ccc(Cl)c(CN)c2)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-4-14(17)11(6-13(8)16)9-2-3-12(15)10(5-9)7-18/h2-6H,7,18H2,1H3
InChIKeyJXQVVCFAYDVIEM-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.05
Rot. Bonds2

About [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine

[2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine (PubChem CID 114077096) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine
PubChem CID114077096
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name[2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine
SMILESCc1cc(F)c(-c2ccc(Cl)c(CN)c2)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-4-14(17)11(6-13(8)16)9-2-3-12(15)10(5-9)7-18/h2-6H,7,18H2,1H3
InChIKeyJXQVVCFAYDVIEM-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine?
The IUPAC name of [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine (CID 114077096) is [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine is Cc1cc(F)c(-c2ccc(Cl)c(CN)c2)cc1F.
What is the InChIKey of [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine?
The InChIKey is JXQVVCFAYDVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-4-14(17)11(6-13(8)16)9-2-3-12(15)10(5-9)7-18/h2-6H,7,18H2,1H3.
What are the key properties of [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine?
[2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine has a molecular weight of 267.71 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(2,5-difluoro-4-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 114077096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).