3-(4-chloro-1-ethylindol-3-yl)propan-1-amine

C13H17ClN2 — CID 117119707

IUPAC3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2c(Cl)cccc21
InChIInChI=1S/C13H17ClN2/c1-2-16-9-10(5-4-8-15)13-11(14)6-3-7-12(13)16/h3,6-7,9H,2,4-5,8,15H2,1H3
InChIKeyQJWPEIIWDSHJRA-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.21
Rot. Bonds4

About 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine

3-(4-chloro-1-ethylindol-3-yl)propan-1-amine (PubChem CID 117119707) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
PubChem CID117119707
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2c(Cl)cccc21
InChIInChI=1S/C13H17ClN2/c1-2-16-9-10(5-4-8-15)13-11(14)6-3-7-12(13)16/h3,6-7,9H,2,4-5,8,15H2,1H3
InChIKeyQJWPEIIWDSHJRA-UHFFFAOYSA-N
XLogP3.21
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine (CID 117119707) is 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine is CCn1cc(CCCN)c2c(Cl)cccc21.
What is the InChIKey of 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine?
The InChIKey is QJWPEIIWDSHJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-2-16-9-10(5-4-8-15)13-11(14)6-3-7-12(13)16/h3,6-7,9H,2,4-5,8,15H2,1H3.
What are the key properties of 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine?
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-ethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 117119707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).