(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine

C15H14ClF2N — CID 106861105

IUPAC(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)c(C)cc2F)c(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-8-3-4-10(12(16)5-8)15(19)11-7-13(17)9(2)6-14(11)18/h3-7,15H,19H2,1-2H3
InChIKeyCEZGUMCIZXKNEX-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.28
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine (PubChem CID 106861105) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
PubChem CID106861105
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)c(C)cc2F)c(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-8-3-4-10(12(16)5-8)15(19)11-7-13(17)9(2)6-14(11)18/h3-7,15H,19H2,1-2H3
InChIKeyCEZGUMCIZXKNEX-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine (CID 106861105) is (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cc(F)c(C)cc2F)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
The InChIKey is CEZGUMCIZXKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-8-3-4-10(12(16)5-8)15(19)11-7-13(17)9(2)6-14(11)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine has a molecular weight of 281.73 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 106861105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).