(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine

C14H12ClF2N — CID 114027936

IUPAC(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
SMILESCc1cc(Cl)ccc1C(N)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7,14H,18H2,1H3
InChIKeyMBKLTICBRWDWMC-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.97
Rot. Bonds2

About (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine

(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine (PubChem CID 114027936) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
PubChem CID114027936
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
SMILESCc1cc(Cl)ccc1C(N)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7,14H,18H2,1H3
InChIKeyMBKLTICBRWDWMC-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

(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine (CID 114027936) is (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine is Cc1cc(Cl)ccc1C(N)c1ccc(F)cc1F.
What is the InChIKey of (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine?
The InChIKey is MBKLTICBRWDWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7,14H,18H2,1H3.
What are the key properties of (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine?
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)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 (4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 114027936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).