3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine

C13H19ClN2 — CID 117200137

IUPAC3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCCN1CC(CCCN)c2c(Cl)cccc21
InChIInChI=1S/C13H19ClN2/c1-2-16-9-10(5-4-8-15)13-11(14)6-3-7-12(13)16/h3,6-7,10H,2,4-5,8-9,15H2,1H3
InChIKeyJMBFLKMGKHZMIS-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.00
Rot. Bonds4

About 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine

3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine (PubChem CID 117200137) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
PubChem CID117200137
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCCN1CC(CCCN)c2c(Cl)cccc21
InChIInChI=1S/C13H19ClN2/c1-2-16-9-10(5-4-8-15)13-11(14)6-3-7-12(13)16/h3,6-7,10H,2,4-5,8-9,15H2,1H3
InChIKeyJMBFLKMGKHZMIS-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431
3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202272
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200175
4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117200083
2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 117199387
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117200176
1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117200061
3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200414
3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
CID 117202604
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol
CID 117200474
1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine
CID 117199608

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
The IUPAC name of 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine (CID 117200137) is 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine is CCN1CC(CCCN)c2c(Cl)cccc21.
What is the InChIKey of 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
The InChIKey is JMBFLKMGKHZMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-16-9-10(5-4-8-15)13-11(14)6-3-7-12(13)16/h3,6-7,10H,2,4-5,8-9,15H2,1H3.
What are the key properties of 3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 3.00, 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-ethyl-2,3-dihydroindol-3-yl)propan-1-amine is sourced from PubChem (CID 117200137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).