5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole

C17H19N — CID 4013983

IUPAC5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C)cc(C)c3N2)cc1
InChIInChI=1S/C17H19N/c1-11-4-6-14(7-5-11)16-10-15-9-12(2)8-13(3)17(15)18-16/h4-9,16,18H,10H2,1-3H3
InChIKeyFQWZSHDURJABRS-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.32
Rot. Bonds1

About 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole

5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 4013983) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID4013983
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C)cc(C)c3N2)cc1
InChIInChI=1S/C17H19N/c1-11-4-6-14(7-5-11)16-10-15-9-12(2)8-13(3)17(15)18-16/h4-9,16,18H,10H2,1-3H3
InChIKeyFQWZSHDURJABRS-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

5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 3662859
4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 5150094
2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole
CID 3395417
5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030733
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3984068
2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3552722
7-methyl-2-pyridin-4-yl-2,3-dihydro-1H-indole
CID 4591288
5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole
CID 3306331
3-(5,7-dimethyl-2,3-dihydro-1H-indol-2-yl)propan-1-amine
CID 83860652
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
CID 89032198
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
(3R)-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 826427

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole (CID 4013983) is 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cc(C)cc(C)c3N2)cc1.
What is the InChIKey of 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is FQWZSHDURJABRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11-4-6-14(7-5-11)16-10-15-9-12(2)8-13(3)17(15)18-16/h4-9,16,18H,10H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
5,7-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 5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4013983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).