(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine

C14H12Cl3N — CID 63504339

IUPAC(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N/c1-8-2-3-9(6-12(8)16)14(18)11-5-4-10(15)7-13(11)17/h2-7,14H,18H2,1H3
InChIKeyHBUKUOHUCRCEHE-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.00
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine

(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine (PubChem CID 63504339) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
PubChem CID63504339
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N/c1-8-2-3-9(6-12(8)16)14(18)11-5-4-10(15)7-13(11)17/h2-7,14H,18H2,1H3
InChIKeyHBUKUOHUCRCEHE-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
CID 63444213
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine (CID 63504339) is (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine is Cc1ccc(C(N)c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The InChIKey is HBUKUOHUCRCEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-8-2-3-9(6-12(8)16)14(18)11-5-4-10(15)7-13(11)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine?
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine has a molecular weight of 300.62 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 63504339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).