(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine

C13H10Cl2FN — CID 62945856

IUPAC(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
SMILESNC(c1ccccc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-11-4-2-1-3-9(11)13(17)10-6-5-8(16)7-12(10)15/h1-7,13H,17H2
InChIKeyFYLLQGNCBJQCDB-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.18
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine

(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine (PubChem CID 62945856) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
PubChem CID62945856
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
SMILESNC(c1ccccc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-11-4-2-1-3-9(11)13(17)10-6-5-8(16)7-12(10)15/h1-7,13H,17H2
InChIKeyFYLLQGNCBJQCDB-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(4-chloro-1-benzofuran-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 114321348
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanamine
CID 107538716
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299325

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine (CID 62945856) is (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine is NC(c1ccccc1Cl)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine?
The InChIKey is FYLLQGNCBJQCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-4-2-1-3-9(11)13(17)10-6-5-8(16)7-12(10)15/h1-7,13H,17H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine?
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine has a molecular weight of 270.13 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine is sourced from PubChem (CID 62945856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).