3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine

C13H17ClN2 — CID 96674281

IUPAC3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-2-15-7-3-4-10-9-16-13-6-5-11(14)8-12(10)13/h5-6,8-9,15-16H,2-4,7H2,1H3
InChIKeyQPOZPPLRSZPHMD-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.36
Rot. Bonds5

About 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine

3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine (PubChem CID 96674281) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
PubChem CID96674281
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-2-15-7-3-4-10-9-16-13-6-5-11(14)8-12(10)13/h5-6,8-9,15-16H,2-4,7H2,1H3
InChIKeyQPOZPPLRSZPHMD-UHFFFAOYSA-N
XLogP3.36
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine (CID 96674281) is 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine is CCNCCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine?
The InChIKey is QPOZPPLRSZPHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-2-15-7-3-4-10-9-16-13-6-5-11(14)8-12(10)13/h5-6,8-9,15-16H,2-4,7H2,1H3.
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine?
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 96674281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).