1-(7-chloro-1H-indol-3-yl)propan-1-amine

C11H13ClN2 — CID 76846666

IUPAC1-(7-chloro-1H-indol-3-yl)propan-1-amine
SMILESCCC(N)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H13ClN2/c1-2-10(13)8-6-14-11-7(8)4-3-5-9(11)12/h3-6,10,14H,2,13H2,1H3
InChIKeyNCIUNLHKECLVJH-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.23
Rot. Bonds2

About 1-(7-chloro-1H-indol-3-yl)propan-1-amine

1-(7-chloro-1H-indol-3-yl)propan-1-amine (PubChem CID 76846666) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-(7-chloro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1H-indol-3-yl)propan-1-amine
PubChem CID76846666
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1-(7-chloro-1H-indol-3-yl)propan-1-amine
SMILESCCC(N)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H13ClN2/c1-2-10(13)8-6-14-11-7(8)4-3-5-9(11)12/h3-6,10,14H,2,13H2,1H3
InChIKeyNCIUNLHKECLVJH-UHFFFAOYSA-N
XLogP3.23
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(7-chloro-1H-indol-3-yl)propan-1-amine 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

7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
(1S)-1-(7-nitro-1H-indol-3-yl)propan-1-amine
CID 104985014
(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
CID 82758826
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
1-(7-chloro-2-ethyl-1H-indol-3-yl)propan-1-amine
CID 107431884
1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
CID 76846668
7-chloro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
CID 122373983
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 1-(7-chloro-1H-indol-3-yl)propan-1-amine (CID 76846666) is 1-(7-chloro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(7-chloro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 1-(7-chloro-1H-indol-3-yl)propan-1-amine is CCC(N)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-1H-indol-3-yl)propan-1-amine?
The InChIKey is NCIUNLHKECLVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-10(13)8-6-14-11-7(8)4-3-5-9(11)12/h3-6,10,14H,2,13H2,1H3.
What are the key properties of 1-(7-chloro-1H-indol-3-yl)propan-1-amine?
1-(7-chloro-1H-indol-3-yl)propan-1-amine has a molecular weight of 208.69 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 1-(7-chloro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 76846666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).