(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine

C14H12Cl2FN — CID 81045120

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(Cl)c2)c(Cl)cc1F
InChIInChI=1S/C14H12Cl2FN/c1-8-5-11(12(16)7-13(8)17)14(18)9-3-2-4-10(15)6-9/h2-7,14H,18H2,1H3
InChIKeyVGXOHIWURPRBMG-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.49
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine

(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine (PubChem CID 81045120) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
PubChem CID81045120
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(Cl)c2)c(Cl)cc1F
InChIInChI=1S/C14H12Cl2FN/c1-8-5-11(12(16)7-13(8)17)14(18)9-3-2-4-10(15)6-9/h2-7,14H,18H2,1H3
InChIKeyVGXOHIWURPRBMG-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731389
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine (CID 81045120) is (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine is Cc1cc(C(N)c2cccc(Cl)c2)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine?
The InChIKey is VGXOHIWURPRBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-8-5-11(12(16)7-13(8)17)14(18)9-3-2-4-10(15)6-9/h2-7,14H,18H2,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine?
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine has a molecular weight of 284.16 g/mol, XLogP of 4.49, 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)-(3-chlorophenyl)methanamine is sourced from PubChem (CID 81045120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).