2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine

C13H17ClN2 — CID 82496887

IUPAC2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-8(2)11(6-15)12-7-16-13-4-3-9(14)5-10(12)13/h3-5,7-8,11,16H,6,15H2,1-2H3
InChIKeyYUJHVKGHAVTFRB-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine

2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine (PubChem CID 82496887) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
PubChem CID82496887
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-8(2)11(6-15)12-7-16-13-4-3-9(14)5-10(12)13/h3-5,7-8,11,16H,6,15H2,1-2H3
InChIKeyYUJHVKGHAVTFRB-UHFFFAOYSA-N
XLogP3.52
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82501743
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83976499
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine (CID 82496887) is 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine?
The InChIKey is YUJHVKGHAVTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8(2)11(6-15)12-7-16-13-4-3-9(14)5-10(12)13/h3-5,7-8,11,16H,6,15H2,1-2H3.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine?
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 82496887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).