4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine

C15H17N — CID 142301656

IUPAC4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine
SMILESCC1=CC=CC(Nc2ccc(C)cc2)C=C1
InChIInChI=1S/C15H17N/c1-12-4-3-5-14(9-6-12)16-15-10-7-13(2)8-11-15/h3-11,14,16H,1-2H3
InChIKeyPQZRNGUBUKNFLS-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.85
Rot. Bonds2

About 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine

4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine (PubChem CID 142301656) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine
PubChem CID142301656
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine
SMILESCC1=CC=CC(Nc2ccc(C)cc2)C=C1
InChIInChI=1S/C15H17N/c1-12-4-3-5-14(9-6-12)16-15-10-7-13(2)8-11-15/h3-11,14,16H,1-2H3
InChIKeyPQZRNGUBUKNFLS-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine 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

methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium
CID 123787689
[4-[4-(methylamino)anilino]phenyl]-[4-(4-methylanilino)cyclohexa-2,5-dien-1-ylidene]azanium
CID 91360068
N-(2,2-dimethylbutyl)-4-methylcyclohepta-2,4,6-trien-1-amine
CID 166913867
7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 142063808
N-(4-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 15637824
(7R)-7-methyl-3-[(4-methylphenyl)disulfanyl]cyclohepta-1,3,5-triene
CID 130413529
N-[(1S)-cyclohex-2-en-1-yl]-4-methylaniline
CID 101110107
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline
CID 59523962
1-(5-ethylcyclohepta-1,3,6-trien-1-yl)-3-(4-methylphenyl)urea
CID 143225060
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine (CID 142301656) is 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine is CC1=CC=CC(Nc2ccc(C)cc2)C=C1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine?
The InChIKey is PQZRNGUBUKNFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-12-4-3-5-14(9-6-12)16-15-10-7-13(2)8-11-15/h3-11,14,16H,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine?
4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine has a molecular weight of 211.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 142301656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).