1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

C17H26Cl2N2 — CID 63456138

IUPAC1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCc2cccc(Cl)c2Cl)(N(C)C)C1
InChIInChI=1S/C17H26Cl2N2/c1-13-6-5-9-17(10-13,21(2)3)12-20-11-14-7-4-8-15(18)16(14)19/h4,7-8,13,20H,5-6,9-12H2,1-3H3
InChIKeyZWXFRJSDBBBVPV-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.59
Rot. Bonds5

About 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 63456138) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID63456138
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCc2cccc(Cl)c2Cl)(N(C)C)C1
InChIInChI=1S/C17H26Cl2N2/c1-13-6-5-9-17(10-13,21(2)3)12-20-11-14-7-4-8-15(18)16(14)19/h4,7-8,13,20H,5-6,9-12H2,1-3H3
InChIKeyZWXFRJSDBBBVPV-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-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-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212677
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 115762055
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
4-[[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]methyl]benzene-1,2-diol
CID 61212854
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63452843
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81431518
[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 62109260
1-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 107310618
N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine
CID 102880778

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 63456138) is 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(CNCc2cccc(Cl)c2Cl)(N(C)C)C1.
What is the InChIKey of 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is ZWXFRJSDBBBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-13-6-5-9-17(10-13,21(2)3)12-20-11-14-7-4-8-15(18)16(14)19/h4,7-8,13,20H,5-6,9-12H2,1-3H3.
What are the key properties of 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 63456138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).