6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C17H19NO — CID 114709682

IUPAC6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2CC(N)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C17H19NO/c1-11-3-6-13(7-4-11)17-10-15(18)14-9-12(2)5-8-16(14)19-17/h3-9,15,17H,10,18H2,1-2H3
InChIKeyTVMBMDJQGMPGJS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.83
Rot. Bonds1

About 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709682) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709682
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2CC(N)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C17H19NO/c1-11-3-6-13(7-4-11)17-10-15(18)14-9-12(2)5-8-16(14)19-17/h3-9,15,17H,10,18H2,1-2H3
InChIKeyTVMBMDJQGMPGJS-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-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

2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(4S)-2-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946403
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709722
2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709587
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
2-(4-bromo-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709782
6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709720
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114709682) is 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C2CC(N)c3cc(C)ccc3O2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is TVMBMDJQGMPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-3-6-13(7-4-11)17-10-15(18)14-9-12(2)5-8-16(14)19-17/h3-9,15,17H,10,18H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 253.34 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).