(1-butyl-3-chloroindol-4-yl)azanium

C12H16ClN2+ — CID 154616295

IUPAC(1-butyl-3-chloroindol-4-yl)azanium
SMILESCCCCn1cc(Cl)c2c([NH3+])cccc21
InChIInChI=1S/C12H15ClN2/c1-2-3-7-15-8-9(13)12-10(14)5-4-6-11(12)15/h4-6,8H,2-3,7,14H2,1H3/p+1
InChIKeyLJVXSODUPKZHFD-UHFFFAOYSA-O
MW223.73 g/mol
LogP2.97
Rot. Bonds3

About (1-butyl-3-chloroindol-4-yl)azanium

(1-butyl-3-chloroindol-4-yl)azanium (PubChem CID 154616295) has the molecular formula C12H16ClN2+ and a molecular weight of 223.73 g/mol. Its IUPAC name is (1-butyl-3-chloroindol-4-yl)azanium.

Molecular Properties

Compound Name(1-butyl-3-chloroindol-4-yl)azanium
PubChem CID154616295
Molecular FormulaC12H16ClN2+
Molecular Weight223.73 g/mol
Exact Mass223.10
IUPAC Name(1-butyl-3-chloroindol-4-yl)azanium
SMILESCCCCn1cc(Cl)c2c([NH3+])cccc21
InChIInChI=1S/C12H15ClN2/c1-2-3-7-15-8-9(13)12-10(14)5-4-6-11(12)15/h4-6,8H,2-3,7,14H2,1H3/p+1
InChIKeyLJVXSODUPKZHFD-UHFFFAOYSA-O
XLogP2.97
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1-butyl-3-chloroindol-4-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-1-propylindol-4-yl)azanium chloride
CID 138543966
(3-chloro-1-methylindol-4-yl)azanium
CID 154616293
3-chloro-1-(2-methoxyethyl)-4-methylindole
CID 158655918
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
4-fluoro-1-pentylindole-3-sulfonamide
CID 82793460
3-(3-chloroindol-1-yl)-N-methylpropan-1-amine
CID 62804121
2-(1-butylindol-3-yl)propanedioyl dichloride
CID 156786445
N-(2-butoxyethyl)-2-(3-chloroindol-1-yl)ethanamine
CID 62803775
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707

Frequently Asked Questions

What is the IUPAC name of (1-butyl-3-chloroindol-4-yl)azanium?
The IUPAC name of (1-butyl-3-chloroindol-4-yl)azanium (CID 154616295) is (1-butyl-3-chloroindol-4-yl)azanium.
What is the SMILES notation for (1-butyl-3-chloroindol-4-yl)azanium?
The canonical SMILES for (1-butyl-3-chloroindol-4-yl)azanium is CCCCn1cc(Cl)c2c([NH3+])cccc21.
What is the InChIKey of (1-butyl-3-chloroindol-4-yl)azanium?
The InChIKey is LJVXSODUPKZHFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15ClN2/c1-2-3-7-15-8-9(13)12-10(14)5-4-6-11(12)15/h4-6,8H,2-3,7,14H2,1H3/p+1.
What are the key properties of (1-butyl-3-chloroindol-4-yl)azanium?
(1-butyl-3-chloroindol-4-yl)azanium has a molecular weight of 223.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-3-chloroindol-4-yl)azanium is sourced from PubChem (CID 154616295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).