1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine

C15H21Cl2N — CID 63478348

IUPAC1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyYGPUXENPNFYPDM-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.05
Rot. Bonds4

About 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine

1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine (PubChem CID 63478348) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
PubChem CID63478348
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyYGPUXENPNFYPDM-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]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

(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
CID 97321615
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
CID 79710185
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine (CID 63478348) is 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine is CC(NCc1cc(Cl)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is YGPUXENPNFYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine?
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 286.25 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 63478348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).