4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C23H32N2 — CID 19871677

IUPAC4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)C2CCCCC2)cc1
InChIInChI=1S/C23H32N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h10-18,23H,5-9H2,1-4H3
InChIKeyCCULDOOXAOAGDJ-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.53
Rot. Bonds5

About 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 19871677) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
PubChem CID19871677
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)C2CCCCC2)cc1
InChIInChI=1S/C23H32N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h10-18,23H,5-9H2,1-4H3
InChIKeyCCULDOOXAOAGDJ-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline 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-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
N,N-dibenzyl-4-[cyclohexyl-[4-(dibenzylamino)phenyl]methyl]aniline
CID 54145611
2-cyclopentyl-1-[4-(dimethylamino)phenyl]ethanol
CID 65151167
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
CID 63371082
4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline
CID 11140320
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
CID 43614157

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (CID 19871677) is 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccc(N(C)C)cc2)C2CCCCC2)cc1.
What is the InChIKey of 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is CCULDOOXAOAGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h10-18,23H,5-9H2,1-4H3.
What are the key properties of 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 336.52 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 19871677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).