N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine

C14H17ClN2 — CID 117182263

IUPACN-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
SMILESCCn1cc(CNC2CC2)c2cccc(Cl)c21
InChIInChI=1S/C14H17ClN2/c1-2-17-9-10(8-16-11-6-7-11)12-4-3-5-13(15)14(12)17/h3-5,9,11,16H,2,6-8H2,1H3
InChIKeyIPODBWJWVQKVDD-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.57
Rot. Bonds4

About N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine

N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine (PubChem CID 117182263) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
PubChem CID117182263
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
SMILESCCn1cc(CNC2CC2)c2cccc(Cl)c21
InChIInChI=1S/C14H17ClN2/c1-2-17-9-10(8-16-11-6-7-11)12-4-3-5-13(15)14(12)17/h3-5,9,11,16H,2,6-8H2,1H3
InChIKeyIPODBWJWVQKVDD-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine (CID 117182263) is N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine is CCn1cc(CNC2CC2)c2cccc(Cl)c21.
What is the InChIKey of N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine?
The InChIKey is IPODBWJWVQKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-2-17-9-10(8-16-11-6-7-11)12-4-3-5-13(15)14(12)17/h3-5,9,11,16H,2,6-8H2,1H3.
What are the key properties of N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine?
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine has a molecular weight of 248.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 117182263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).