2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole

C18H21N — CID 155678068

IUPAC2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCc1ccc(CC2c3cccc(C)c3NC2C)cc1
InChIInChI=1S/C18H21N/c1-12-7-9-15(10-8-12)11-17-14(3)19-18-13(2)5-4-6-16(17)18/h4-10,14,17,19H,11H2,1-3H3
InChIKeyWBBBIUODQGHIQR-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.44
Rot. Bonds2

About 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole

2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole (PubChem CID 155678068) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
PubChem CID155678068
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCc1ccc(CC2c3cccc(C)c3NC2C)cc1
InChIInChI=1S/C18H21N/c1-12-7-9-15(10-8-12)11-17-14(3)19-18-13(2)5-4-6-16(17)18/h4-10,14,17,19H,11H2,1-3H3
InChIKeyWBBBIUODQGHIQR-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole
CID 102138912
2,4-dimethyl-1-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 142882854
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
CID 118011663
2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 155678071
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912377
2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one
CID 54239079
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 154718795
2-methyl-4-[(4-methylphenyl)methyl]piperidine
CID 106777755

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole (CID 155678068) is 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole is Cc1ccc(CC2c3cccc(C)c3NC2C)cc1.
What is the InChIKey of 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is WBBBIUODQGHIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-7-9-15(10-8-12)11-17-14(3)19-18-13(2)5-4-6-16(17)18/h4-10,14,17,19H,11H2,1-3H3.
What are the key properties of 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 251.37 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 155678068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).