2-(3-propylphenyl)-2,3-dihydro-1H-indole

C17H19N — CID 116545623

IUPAC2-(3-propylphenyl)-2,3-dihydro-1H-indole
SMILESCCCc1cccc(C2Cc3ccccc3N2)c1
InChIInChI=1S/C17H19N/c1-2-6-13-7-5-9-14(11-13)17-12-15-8-3-4-10-16(15)18-17/h3-5,7-11,17-18H,2,6,12H2,1H3
InChIKeyKPNYUMNIEJCCCC-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.35
Rot. Bonds3

About 2-(3-propylphenyl)-2,3-dihydro-1H-indole

2-(3-propylphenyl)-2,3-dihydro-1H-indole (PubChem CID 116545623) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-propylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3-propylphenyl)-2,3-dihydro-1H-indole
PubChem CID116545623
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-(3-propylphenyl)-2,3-dihydro-1H-indole
SMILESCCCc1cccc(C2Cc3ccccc3N2)c1
InChIInChI=1S/C17H19N/c1-2-6-13-7-5-9-14(11-13)17-12-15-8-3-4-10-16(15)18-17/h3-5,7-11,17-18H,2,6,12H2,1H3
InChIKeyKPNYUMNIEJCCCC-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
4-(3-propylphenyl)-1,2,3,4-tetrahydroquinoline
CID 116545640
4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 116545643
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
CID 4553676
(2R)-2-(4-bromophenyl)-2,3-dihydro-1H-indole
CID 7144522
(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-(3-propylphenyl)cyclobutan-1-amine
CID 116546379
2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 65041975
1-bromo-2-(3-propylphenyl)cycloheptane
CID 116545541
1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene
CID 116545938

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3-propylphenyl)-2,3-dihydro-1H-indole (CID 116545623) is 2-(3-propylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3-propylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3-propylphenyl)-2,3-dihydro-1H-indole is CCCc1cccc(C2Cc3ccccc3N2)c1.
What is the InChIKey of 2-(3-propylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is KPNYUMNIEJCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-6-13-7-5-9-14(11-13)17-12-15-8-3-4-10-16(15)18-17/h3-5,7-11,17-18H,2,6,12H2,1H3.
What are the key properties of 2-(3-propylphenyl)-2,3-dihydro-1H-indole?
2-(3-propylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 237.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116545623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).