4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine

C12H16ClN3 — CID 57176365

IUPAC4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
SMILESNCC(N)CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H16ClN3/c13-9-2-4-12-11(5-9)8(7-16-12)1-3-10(15)6-14/h2,4-5,7,10,16H,1,3,6,14-15H2
InChIKeyCXCCKYCNGPHYRO-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.04
Rot. Bonds4

About 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine

4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine (PubChem CID 57176365) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
PubChem CID57176365
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
SMILESNCC(N)CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H16ClN3/c13-9-2-4-12-11(5-9)8(7-16-12)1-3-10(15)6-14/h2,4-5,7,10,16H,1,3,6,14-15H2
InChIKeyCXCCKYCNGPHYRO-UHFFFAOYSA-N
XLogP2.04
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine 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

2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
CID 170598946
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide
CID 119280242
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine?
The IUPAC name of 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine (CID 57176365) is 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine.
What is the SMILES notation for 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine?
The canonical SMILES for 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine is NCC(N)CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine?
The InChIKey is CXCCKYCNGPHYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-9-2-4-12-11(5-9)8(7-16-12)1-3-10(15)6-14/h2,4-5,7,10,16H,1,3,6,14-15H2.
What are the key properties of 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine?
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine has a molecular weight of 237.73 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine is sourced from PubChem (CID 57176365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).