2-(5-chloro-1-ethylindol-3-yl)propan-1-amine

C13H17ClN2 — CID 117121064

IUPAC2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
SMILESCCn1cc(C(C)CN)c2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2/c1-3-16-8-12(9(2)7-15)11-6-10(14)4-5-13(11)16/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyXUGMMIUVHPXDHH-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine

2-(5-chloro-1-ethylindol-3-yl)propan-1-amine (PubChem CID 117121064) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
PubChem CID117121064
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
SMILESCCn1cc(C(C)CN)c2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2/c1-3-16-8-12(9(2)7-15)11-6-10(14)4-5-13(11)16/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyXUGMMIUVHPXDHH-UHFFFAOYSA-N
XLogP3.38
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
CID 115073244
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
5-chloro-1-ethyl-3-methylindole
CID 23383492
butyl 3,3-bis(5-chloro-1-ethylindol-3-yl)propanoate
CID 132513966
1-(1-ethyl-5-methylindol-3-yl)ethanamine
CID 117120993
2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
CID 117119694
2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117121588
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82499412
1-(1,5-diethylindol-3-yl)ethanol
CID 83945334
2-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine (CID 117121064) is 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine is CCn1cc(C(C)CN)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine?
The InChIKey is XUGMMIUVHPXDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-3-16-8-12(9(2)7-15)11-6-10(14)4-5-13(11)16/h4-6,8-9H,3,7,15H2,1-2H3.
What are the key properties of 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine?
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-ethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 117121064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).