N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine

C15H20Cl3N — CID 113359870

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
SMILESClCC1(CNCc2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C15H20Cl3N/c16-10-15(7-2-1-3-8-15)11-19-9-12-13(17)5-4-6-14(12)18/h4-6,19H,1-3,7-11H2
InChIKeyAEHNZBANSBOIKC-UHFFFAOYSA-N
MW320.69 g/mol
LogP5.27
Rot. Bonds5

About N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine (PubChem CID 113359870) has the molecular formula C15H20Cl3N and a molecular weight of 320.69 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
PubChem CID113359870
Molecular FormulaC15H20Cl3N
Molecular Weight320.69 g/mol
Exact Mass319.07
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
SMILESClCC1(CNCc2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C15H20Cl3N/c16-10-15(7-2-1-3-8-15)11-19-9-12-13(17)5-4-6-14(12)18/h4-6,19H,1-3,7-11H2
InChIKeyAEHNZBANSBOIKC-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-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-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 78960288
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
CID 65025996
3-chloro-2-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735921
1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 65111747
3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
CID 103802319
1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115807
3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724323

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine (CID 113359870) is N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine is ClCC1(CNCc2c(Cl)cccc2Cl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine?
The InChIKey is AEHNZBANSBOIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl3N/c16-10-15(7-2-1-3-8-15)11-19-9-12-13(17)5-4-6-14(12)18/h4-6,19H,1-3,7-11H2.
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine?
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine has a molecular weight of 320.69 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 113359870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).