(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine

C11H13ClN2 — CID 82758826

IUPAC(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C11H13ClN2/c1-2-9(13)7-6-14-10-5-3-4-8(12)11(7)10/h3-6,9,14H,2,13H2,1H3/t9-/m0/s1
InChIKeyCYGJUGVESDMOOO-VIFPVBQESA-N
MW208.69 g/mol
LogP3.23
Rot. Bonds2

About (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine

(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine (PubChem CID 82758826) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
PubChem CID82758826
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C11H13ClN2/c1-2-9(13)7-6-14-10-5-3-4-8(12)11(7)10/h3-6,9,14H,2,13H2,1H3/t9-/m0/s1
InChIKeyCYGJUGVESDMOOO-VIFPVBQESA-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 (1S)-1-(4-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

4-chloro-3-propan-2-yl-1H-indole
CID 129292866
1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
1-(4-chloro-1H-indol-3-yl)propan-2-amine
CID 12832
(2S,3S)-2,3-diamino-3-(4-chloro-1H-indol-3-yl)propanoic acid
CID 174256823
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
4-(4-chloro-1H-indol-3-yl)pentanoic acid
CID 115420859
2-(4-chloro-1H-indol-3-yl)butanedioic acid
CID 23513553
1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine
CID 110453486
ethyl 3-(4-chloro-1H-indol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170817212
1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-4-ylmethanamine
CID 110453465
4-chloro-3-[(1S)-1-phenylprop-2-enyl]-1H-indole
CID 134968895
(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
CID 72707576

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine (CID 82758826) is (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine is CC[C@H](N)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine?
The InChIKey is CYGJUGVESDMOOO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-9(13)7-6-14-10-5-3-4-8(12)11(7)10/h3-6,9,14H,2,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine?
(1S)-1-(4-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 (1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82758826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).