4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline

C19H32N2 — CID 63448419

IUPAC4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNCCC2CCCCC2)cc1
InChIInChI=1S/C19H32N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h10-13,17,20H,3-9,14-16H2,1-2H3
InChIKeyPAZJFMOMVWLIJH-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.59
Rot. Bonds8

About 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline

4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline (PubChem CID 63448419) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
PubChem CID63448419
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNCCC2CCCCC2)cc1
InChIInChI=1S/C19H32N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h10-13,17,20H,3-9,14-16H2,1-2H3
InChIKeyPAZJFMOMVWLIJH-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline 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

4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
CID 115690285
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 60732889
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
CID 4719418
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline?
The IUPAC name of 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline (CID 63448419) is 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline is CCN(CC)c1ccc(CNCCC2CCCCC2)cc1.
What is the InChIKey of 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline?
The InChIKey is PAZJFMOMVWLIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h10-13,17,20H,3-9,14-16H2,1-2H3.
What are the key properties of 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline?
4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline is sourced from PubChem (CID 63448419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).