2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine

C18H27Cl2N — CID 65424347

IUPAC2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(Cl)c(Cl)c2)NC)CC1
InChIInChI=1S/C18H27Cl2N/c1-3-4-13-5-8-15(9-6-13)18(21-2)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyJVSGVLAOJSNQFR-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.73
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine

2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine (PubChem CID 65424347) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
PubChem CID65424347
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(Cl)c(Cl)c2)NC)CC1
InChIInChI=1S/C18H27Cl2N/c1-3-4-13-5-8-15(9-6-13)18(21-2)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyJVSGVLAOJSNQFR-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine 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

2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
2-(furan-3-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 83175553
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79740147
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
[2-(4-chlorophenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232365
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine (CID 65424347) is 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(Cc2ccc(Cl)c(Cl)c2)NC)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is JVSGVLAOJSNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-3-4-13-5-8-15(9-6-13)18(21-2)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 328.33 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 65424347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).