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

C16H17N — CID 65041975

IUPAC2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCc1cccc(CC2Cc3ccccc3N2)c1
InChIInChI=1S/C16H17N/c1-12-5-4-6-13(9-12)10-15-11-14-7-2-3-8-16(14)17-15/h2-9,15,17H,10-11H2,1H3
InChIKeyMCOKDDZYBIWNSJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.57
Rot. Bonds2

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

2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole (PubChem CID 65041975) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
PubChem CID65041975
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCc1cccc(CC2Cc3ccccc3N2)c1
InChIInChI=1S/C16H17N/c1-12-5-4-6-13(9-12)10-15-11-14-7-2-3-8-16(14)17-15/h2-9,15,17H,10-11H2,1H3
InChIKeyMCOKDDZYBIWNSJ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Desipramine
CID 2995
Dicarbine
CID 65684
Indoline
CID 10328
N,N'-Di-o-tolylethylenediamine
CID 66759
2-Methylindoline
CID 23305
Metapramine
CID 65700
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
Benzeneethanamine, N-phenyl-
CID 74443
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole (CID 65041975) is 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole is Cc1cccc(CC2Cc3ccccc3N2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is MCOKDDZYBIWNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-5-4-6-13(9-12)10-15-11-14-7-2-3-8-16(14)17-15/h2-9,15,17H,10-11H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole?
2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 223.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 65041975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).