N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine

C17H25Cl2N — CID 53318434

IUPACN-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-3-20(4-2)13-17(10-6-5-7-11-17)14-8-9-15(18)16(19)12-14/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyZXAIYPYVRUXIRT-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.54
Rot. Bonds5

About N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine

N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine (PubChem CID 53318434) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine
PubChem CID53318434
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-3-20(4-2)13-17(10-6-5-7-11-17)14-8-9-15(18)16(19)12-14/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyZXAIYPYVRUXIRT-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine (CID 53318434) is N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine is CCN(CC)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine?
The InChIKey is ZXAIYPYVRUXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-20(4-2)13-17(10-6-5-7-11-17)14-8-9-15(18)16(19)12-14/h8-9,12H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine?
N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 53318434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).