3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine

C13H19ClN2 — CID 117202272

IUPAC3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCCN1CC(CCCN)c2cc(Cl)ccc21
InChIInChI=1S/C13H19ClN2/c1-2-16-9-10(4-3-7-15)12-8-11(14)5-6-13(12)16/h5-6,8,10H,2-4,7,9,15H2,1H3
InChIKeyFOADUNDUTCKUOE-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.00
Rot. Bonds4

About 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine

3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine (PubChem CID 117202272) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
PubChem CID117202272
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCCN1CC(CCCN)c2cc(Cl)ccc21
InChIInChI=1S/C13H19ClN2/c1-2-16-9-10(4-3-7-15)12-8-11(14)5-6-13(12)16/h5-6,8,10H,2-4,7,9,15H2,1H3
InChIKeyFOADUNDUTCKUOE-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-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
CID 117202604
3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117200137
1-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117202208
2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202262
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
7-chloro-1-ethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83754383
1-benzyl-5-chloro-2,3-dihydroindol-3-amine
CID 45043255
2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235465
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine
CID 117202263

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine (CID 117202272) is 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine is CCN1CC(CCCN)c2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
The InChIKey is FOADUNDUTCKUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-16-9-10(4-3-7-15)12-8-11(14)5-6-13(12)16/h5-6,8,10H,2-4,7,9,15H2,1H3.
What are the key properties of 3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine?
3-(5-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-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine is sourced from PubChem (CID 117202272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).