N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine

C18H22N2 — CID 62121004

IUPACN-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C18H22N2/c1-3-19-13-15-8-9-17(14(2)12-15)20-11-10-16-6-4-5-7-18(16)20/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKeyPHYXDXBYVJDJIC-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.80
Rot. Bonds4

About N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine

N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine (PubChem CID 62121004) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine
PubChem CID62121004
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C18H22N2/c1-3-19-13-15-8-9-17(14(2)12-15)20-11-10-16-6-4-5-7-18(16)20/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKeyPHYXDXBYVJDJIC-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine (CID 62121004) is N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(N2CCc3ccccc32)c(C)c1.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is PHYXDXBYVJDJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-19-13-15-8-9-17(14(2)12-15)20-11-10-16-6-4-5-7-18(16)20/h4-9,12,19H,3,10-11,13H2,1-2H3.
What are the key properties of N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 62121004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).