5-chloro-N-(3-methylbutyl)-1H-indol-7-amine

C13H17ClN2 — CID 141444364

IUPAC5-chloro-N-(3-methylbutyl)-1H-indol-7-amine
SMILESCC(C)CCNc1cc(Cl)cc2cc[nH]c12
InChIInChI=1S/C13H17ClN2/c1-9(2)3-5-15-12-8-11(14)7-10-4-6-16-13(10)12/h4,6-9,15-16H,3,5H2,1-2H3
InChIKeyITAABQHRGDKAIV-UHFFFAOYSA-N
MW236.75 g/mol
LogP4.28
Rot. Bonds4

About 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine

5-chloro-N-(3-methylbutyl)-1H-indol-7-amine (PubChem CID 141444364) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylbutyl)-1H-indol-7-amine
PubChem CID141444364
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name5-chloro-N-(3-methylbutyl)-1H-indol-7-amine
SMILESCC(C)CCNc1cc(Cl)cc2cc[nH]c12
InChIInChI=1S/C13H17ClN2/c1-9(2)3-5-15-12-8-11(14)7-10-4-6-16-13(10)12/h4,6-9,15-16H,3,5H2,1-2H3
InChIKeyITAABQHRGDKAIV-UHFFFAOYSA-N
XLogP4.28
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine?
The IUPAC name of 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine (CID 141444364) is 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine.
What is the SMILES notation for 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine?
The canonical SMILES for 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine is CC(C)CCNc1cc(Cl)cc2cc[nH]c12.
What is the InChIKey of 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine?
The InChIKey is ITAABQHRGDKAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9(2)3-5-15-12-8-11(14)7-10-4-6-16-13(10)12/h4,6-9,15-16H,3,5H2,1-2H3.
What are the key properties of 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine?
5-chloro-N-(3-methylbutyl)-1H-indol-7-amine has a molecular weight of 236.75 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylbutyl)-1H-indol-7-amine is sourced from PubChem (CID 141444364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).