3-(3-butyl-6-chloroindol-1-yl)propan-1-amine

C15H21ClN2 — CID 83948692

IUPAC3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
SMILESCCCCc1cn(CCCN)c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2/c1-2-3-5-12-11-18(9-4-8-17)15-10-13(16)6-7-14(12)15/h6-7,10-11H,2-5,8-9,17H2,1H3
InChIKeyAGEAMFXXYARKAE-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.99
Rot. Bonds6

About 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine

3-(3-butyl-6-chloroindol-1-yl)propan-1-amine (PubChem CID 83948692) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
PubChem CID83948692
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
SMILESCCCCc1cn(CCCN)c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2/c1-2-3-5-12-11-18(9-4-8-17)15-10-13(16)6-7-14(12)15/h6-7,10-11H,2-5,8-9,17H2,1H3
InChIKeyAGEAMFXXYARKAE-UHFFFAOYSA-N
XLogP3.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine?
The IUPAC name of 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine (CID 83948692) is 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine is CCCCc1cn(CCCN)c2cc(Cl)ccc12.
What is the InChIKey of 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine?
The InChIKey is AGEAMFXXYARKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-2-3-5-12-11-18(9-4-8-17)15-10-13(16)6-7-14(12)15/h6-7,10-11H,2-5,8-9,17H2,1H3.
What are the key properties of 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine?
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine has a molecular weight of 264.80 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-6-chloroindol-1-yl)propan-1-amine is sourced from PubChem (CID 83948692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).