2-(7-chloroindol-1-yl)-N,N-diethylethanamine

C14H19ClN2 — CID 103475461

IUPAC2-(7-chloroindol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1ccc2cccc(Cl)c21
InChIInChI=1S/C14H19ClN2/c1-3-16(4-2)10-11-17-9-8-12-6-5-7-13(15)14(12)17/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNQMGKBRZUXOOFT-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.64
Rot. Bonds5

About 2-(7-chloroindol-1-yl)-N,N-diethylethanamine

2-(7-chloroindol-1-yl)-N,N-diethylethanamine (PubChem CID 103475461) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-N,N-diethylethanamine
PubChem CID103475461
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(7-chloroindol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1ccc2cccc(Cl)c21
InChIInChI=1S/C14H19ClN2/c1-3-16(4-2)10-11-17-9-8-12-6-5-7-13(15)14(12)17/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNQMGKBRZUXOOFT-UHFFFAOYSA-N
XLogP3.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(7-chloroindol-1-yl)-N,N-diethylethanamine (CID 103475461) is 2-(7-chloroindol-1-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(7-chloroindol-1-yl)-N,N-diethylethanamine is CCN(CC)CCn1ccc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloroindol-1-yl)-N,N-diethylethanamine?
The InChIKey is NQMGKBRZUXOOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-3-16(4-2)10-11-17-9-8-12-6-5-7-13(15)14(12)17/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(7-chloroindol-1-yl)-N,N-diethylethanamine?
2-(7-chloroindol-1-yl)-N,N-diethylethanamine has a molecular weight of 250.77 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-N,N-diethylethanamine is sourced from PubChem (CID 103475461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).