2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole

C18H21N — CID 3435203

IUPAC2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCc1cccc(C2Cc3cc(C(C)C)ccc3N2)c1
InChIInChI=1S/C18H21N/c1-12(2)14-7-8-17-16(10-14)11-18(19-17)15-6-4-5-13(3)9-15/h4-10,12,18-19H,11H2,1-3H3
InChIKeyXHECRBKQKHKWMN-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.83
Rot. Bonds2

About 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole

2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 3435203) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID3435203
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCc1cccc(C2Cc3cc(C(C)C)ccc3N2)c1
InChIInChI=1S/C18H21N/c1-12(2)14-7-8-17-16(10-14)11-18(19-17)15-6-4-5-13(3)9-15/h4-10,12,18-19H,11H2,1-3H3
InChIKeyXHECRBKQKHKWMN-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 4000551
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 10807358
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 3531352
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole (CID 3435203) is 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole is Cc1cccc(C2Cc3cc(C(C)C)ccc3N2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is XHECRBKQKHKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12(2)14-7-8-17-16(10-14)11-18(19-17)15-6-4-5-13(3)9-15/h4-10,12,18-19H,11H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole?
2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 251.37 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3435203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).