4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole

C17H19N — CID 5150094

IUPAC4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3c(C)cc(C)cc3N2)cc1
InChIInChI=1S/C17H19N/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)18-16/h4-9,16,18H,10H2,1-3H3
InChIKeyVCFVNYQHTHGKQW-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.32
Rot. Bonds1

About 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole

4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 5150094) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID5150094
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3c(C)cc(C)cc3N2)cc1
InChIInChI=1S/C17H19N/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)18-16/h4-9,16,18H,10H2,1-3H3
InChIKeyVCFVNYQHTHGKQW-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole
CID 5240308
5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 4013983
(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline
CID 95427024
(2S,4R)-6,8-dimethyl-2-(2-methylprop-1-enyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 71504107
4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3997786
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734
5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 58771496
5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 3662859
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
CID 89032198
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
5-fluoro-5-methyl-2-(4-methylphenyl)piperidine
CID 84722432

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole (CID 5150094) is 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3c(C)cc(C)cc3N2)cc1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is VCFVNYQHTHGKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)18-16/h4-9,16,18H,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 237.35 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 5150094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).