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

C17H19ClN2 — CID 81149063

IUPACN-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H19ClN2/c1-2-19-12-13-7-8-17(15(18)11-13)20-10-9-14-5-3-4-6-16(14)20/h3-8,11,19H,2,9-10,12H2,1H3
InChIKeyWWOUVMNFZDCVTM-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.14
Rot. Bonds4

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

N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine (PubChem CID 81149063) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
PubChem CID81149063
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H19ClN2/c1-2-19-12-13-7-8-17(15(18)11-13)20-10-9-14-5-3-4-6-16(14)20/h3-8,11,19H,2,9-10,12H2,1H3
InChIKeyWWOUVMNFZDCVTM-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine (CID 81149063) is N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(N2CCc3ccccc32)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
The InChIKey is WWOUVMNFZDCVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-2-19-12-13-7-8-17(15(18)11-13)20-10-9-14-5-3-4-6-16(14)20/h3-8,11,19H,2,9-10,12H2,1H3.
What are the key properties of N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine?
N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine has a molecular weight of 286.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81149063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).