N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine

C18H19ClN2 — CID 43281017

IUPACN-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(N2CCc3ccccc32)c1CNC1CC1
InChIInChI=1S/C18H19ClN2/c19-16-5-3-7-18(15(16)12-20-14-8-9-14)21-11-10-13-4-1-2-6-17(13)21/h1-7,14,20H,8-12H2
InChIKeyWBZVRPPEHVDMGO-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.29
Rot. Bonds4

About N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 43281017) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID43281017
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC NameN-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(N2CCc3ccccc32)c1CNC1CC1
InChIInChI=1S/C18H19ClN2/c19-16-5-3-7-18(15(16)12-20-14-8-9-14)21-11-10-13-4-1-2-6-17(13)21/h1-7,14,20H,8-12H2
InChIKeyWBZVRPPEHVDMGO-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine (CID 43281017) is N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine is Clc1cccc(N2CCc3ccccc32)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is WBZVRPPEHVDMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c19-16-5-3-7-18(15(16)12-20-14-8-9-14)21-11-10-13-4-1-2-6-17(13)21/h1-7,14,20H,8-12H2.
What are the key properties of N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 298.82 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43281017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).