(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine

C12H13ClN2 — CID 82277697

IUPAC(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
SMILESNC(c1c[nH]c2ccc(Cl)cc12)C1CC1
InChIInChI=1S/C12H13ClN2/c13-8-3-4-11-9(5-8)10(6-15-11)12(14)7-1-2-7/h3-7,12,15H,1-2,14H2
InChIKeyJFUWFMFDCWIPTO-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.23
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine

(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine (PubChem CID 82277697) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
PubChem CID82277697
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
SMILESNC(c1c[nH]c2ccc(Cl)cc12)C1CC1
InChIInChI=1S/C12H13ClN2/c13-8-3-4-11-9(5-8)10(6-15-11)12(14)7-1-2-7/h3-7,12,15H,1-2,14H2
InChIKeyJFUWFMFDCWIPTO-UHFFFAOYSA-N
XLogP3.23
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine 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

(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
CID 171246170
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine?
The IUPAC name of (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine (CID 82277697) is (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine is NC(c1c[nH]c2ccc(Cl)cc12)C1CC1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine?
The InChIKey is JFUWFMFDCWIPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-8-3-4-11-9(5-8)10(6-15-11)12(14)7-1-2-7/h3-7,12,15H,1-2,14H2.
What are the key properties of (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine?
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine has a molecular weight of 220.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-cyclopropylmethanamine is sourced from PubChem (CID 82277697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).