4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline

C22H30N2 — CID 1392676

IUPAC4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline
SMILESCc1cc(C2(c3cc(C)c(N)c(C)c3)CCCCC2)cc(C)c1N
InChIInChI=1S/C22H30N2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19/h10-13H,5-9,23-24H2,1-4H3
InChIKeyJBQZRHDARGZLAF-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.33
Rot. Bonds2

About 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline

4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline (PubChem CID 1392676) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline
PubChem CID1392676
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline
SMILESCc1cc(C2(c3cc(C)c(N)c(C)c3)CCCCC2)cc(C)c1N
InChIInChI=1S/C22H30N2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19/h10-13H,5-9,23-24H2,1-4H3
InChIKeyJBQZRHDARGZLAF-UHFFFAOYSA-N
XLogP5.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-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

1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene
CID 21045052
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
CID 154629594
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium
CID 71358313
benzyl N-[4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenyl]carbamate
CID 10813700
4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol
CID 144931286
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
5-N,8-N-bis[4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenyl]-1,12-dimethylbenzo[c]phenanthrene-5,8-dicarboxamide
CID 12964572
N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline
CID 21022914
3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139063676
3,3-bis(3,4,5-trimethylphenyl)-6-azoniaspiro[5.5]undecane
CID 155586173
4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylaniline
CID 123572056

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline?
The IUPAC name of 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline (CID 1392676) is 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline is Cc1cc(C2(c3cc(C)c(N)c(C)c3)CCCCC2)cc(C)c1N.
What is the InChIKey of 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline?
The InChIKey is JBQZRHDARGZLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19/h10-13H,5-9,23-24H2,1-4H3.
What are the key properties of 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline?
4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline has a molecular weight of 322.50 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline is sourced from PubChem (CID 1392676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).