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

C14H13Cl2N — CID 79016195

IUPAC(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
SMILESCc1ccc(Cl)cc1C(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N/c1-9-2-5-12(16)8-13(9)14(17)10-3-6-11(15)7-4-10/h2-8,14H,17H2,1H3
InChIKeyBMFYEGQGYFALRG-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.35
Rot. Bonds2

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

(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine (PubChem CID 79016195) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
PubChem CID79016195
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
SMILESCc1ccc(Cl)cc1C(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N/c1-9-2-5-12(16)8-13(9)14(17)10-3-6-11(15)7-4-10/h2-8,14H,17H2,1H3
InChIKeyBMFYEGQGYFALRG-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

(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 82870677
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine (CID 79016195) is (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine is Cc1ccc(Cl)cc1C(N)c1ccc(Cl)cc1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine?
The InChIKey is BMFYEGQGYFALRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-9-2-5-12(16)8-13(9)14(17)10-3-6-11(15)7-4-10/h2-8,14H,17H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine?
(5-chloro-2-methylphenyl)-(4-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 (5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 79016195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).