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

C14H13Cl2N — CID 106857071

IUPAC(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N/c1-9-5-6-12(13(16)7-9)14(17)10-3-2-4-11(15)8-10/h2-8,14H,17H2,1H3
InChIKeyPEKAOKSGQGDCPU-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.35
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine (PubChem CID 106857071) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
PubChem CID106857071
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N/c1-9-5-6-12(13(16)7-9)14(17)10-3-2-4-11(15)8-10/h2-8,14H,17H2,1H3
InChIKeyPEKAOKSGQGDCPU-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 106857827
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(3-chlorophenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63839417
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine (CID 106857071) is (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine is Cc1ccc(C(N)c2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine?
The InChIKey is PEKAOKSGQGDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-9-5-6-12(13(16)7-9)14(17)10-3-2-4-11(15)8-10/h2-8,14H,17H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine?
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine has a molecular weight of 266.17 g/mol, XLogP of 4.35, 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)-(3-chlorophenyl)methanamine is sourced from PubChem (CID 106857071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).