1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine

C15H20Cl3N — CID 65030140

IUPAC1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(CCl)(NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl3N/c1-11-4-6-15(10-16,7-5-11)19-9-12-2-3-13(17)8-14(12)18/h2-3,8,11,19H,4-7,9-10H2,1H3
InChIKeyOOPZPEWLNGCBKR-UHFFFAOYSA-N
MW320.69 g/mol
LogP5.27
Rot. Bonds4

About 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine

1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 65030140) has the molecular formula C15H20Cl3N and a molecular weight of 320.69 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID65030140
Molecular FormulaC15H20Cl3N
Molecular Weight320.69 g/mol
Exact Mass319.07
IUPAC Name1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(CCl)(NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl3N/c1-11-4-6-15(10-16,7-5-11)19-9-12-2-3-13(17)8-14(12)18/h2-3,8,11,19H,4-7,9-10H2,1H3
InChIKeyOOPZPEWLNGCBKR-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.69
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine 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-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
CID 106869831
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 70921617
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
N-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)oxan-4-amine
CID 106299696
[1-[(5-chloro-2-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79556482
3-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-4-fluorobenzamide
CID 82879015
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029735
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969
2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
[2-(2,4-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277164

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 65030140) is 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(CCl)(NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is OOPZPEWLNGCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl3N/c1-11-4-6-15(10-16,7-5-11)19-9-12-2-3-13(17)8-14(12)18/h2-3,8,11,19H,4-7,9-10H2,1H3.
What are the key properties of 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 320.69 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65030140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).