4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

C16H24Cl2N2 — CID 79122467

IUPAC4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-11(15-10-12(17)4-9-16(15)18)20(3)14-7-5-13(19-2)6-8-14/h4,9-11,13-14,19H,5-8H2,1-3H3
InChIKeyMGHJTRBSXOLUNK-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds4

About 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122467) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122467
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-11(15-10-12(17)4-9-16(15)18)20(3)14-7-5-13(19-2)6-8-14/h4,9-11,13-14,19H,5-8H2,1-3H3
InChIKeyMGHJTRBSXOLUNK-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine 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

3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
CID 107720804
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122154
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114763258
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
CID 107707663
4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118122
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
1-N,4-N-dimethyl-4-N-[1-(3-nitrophenyl)ethyl]cyclohexane-1,4-diamine
CID 79117559
4-N-[1-(1-benzothiophen-2-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 114910301
1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424192
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122467) is 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)C(C)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is MGHJTRBSXOLUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-11(15-10-12(17)4-9-16(15)18)20(3)14-7-5-13(19-2)6-8-14/h4,9-11,13-14,19H,5-8H2,1-3H3.
What are the key properties of 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).