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

C13H17ClN2 — CID 117121588

IUPAC2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
SMILESCCn1c(C(C)CN)cc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2/c1-3-16-12-5-4-11(14)6-10(12)7-13(16)9(2)8-15/h4-7,9H,3,8,15H2,1-2H3
InChIKeyRTEJOGAAYQNMBH-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.38
Rot. Bonds3

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

2-(5-chloro-1-ethylindol-2-yl)propan-1-amine (PubChem CID 117121588) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
PubChem CID117121588
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
SMILESCCn1c(C(C)CN)cc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2/c1-3-16-12-5-4-11(14)6-10(12)7-13(16)9(2)8-15/h4-7,9H,3,8,15H2,1-2H3
InChIKeyRTEJOGAAYQNMBH-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-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568
2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine
CID 117121586
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
2-(1-ethyl-5-methylindol-2-yl)propan-1-ol
CID 117121500
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117121064
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine?
The IUPAC name of 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine (CID 117121588) is 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine is CCn1c(C(C)CN)cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine?
The InChIKey is RTEJOGAAYQNMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-3-16-12-5-4-11(14)6-10(12)7-13(16)9(2)8-15/h4-7,9H,3,8,15H2,1-2H3.
What are the key properties of 2-(5-chloro-1-ethylindol-2-yl)propan-1-amine?
2-(5-chloro-1-ethylindol-2-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-2-yl)propan-1-amine is sourced from PubChem (CID 117121588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).