(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine

C15H14Cl2FN — CID 106861126

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(C)c(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-8-3-4-10(12(16)5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7,15H,19H2,1-2H3
InChIKeyKKVPHGKUHWVLFC-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.80
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine

(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine (PubChem CID 106861126) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
PubChem CID106861126
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(C)c(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-8-3-4-10(12(16)5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7,15H,19H2,1-2H3
InChIKeyKKVPHGKUHWVLFC-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine (CID 106861126) is (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cc(C)c(F)cc2Cl)c(Cl)c1.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine?
The InChIKey is KKVPHGKUHWVLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-8-3-4-10(12(16)5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine?
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine has a molecular weight of 298.19 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 106861126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).