2-(3-chloro-1H-indol-7-yl)propan-1-amine

C11H13ClN2 — CID 117298104

IUPAC2-(3-chloro-1H-indol-7-yl)propan-1-amine
SMILESCC(CN)c1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C11H13ClN2/c1-7(5-13)8-3-2-4-9-10(12)6-14-11(8)9/h2-4,6-7,14H,5,13H2,1H3
InChIKeyWWTZJKPMMVMBIO-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-chloro-1H-indol-7-yl)propan-1-amine

2-(3-chloro-1H-indol-7-yl)propan-1-amine (PubChem CID 117298104) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(3-chloro-1H-indol-7-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-1H-indol-7-yl)propan-1-amine
PubChem CID117298104
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(3-chloro-1H-indol-7-yl)propan-1-amine
SMILESCC(CN)c1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C11H13ClN2/c1-7(5-13)8-3-2-4-9-10(12)6-14-11(8)9/h2-4,6-7,14H,5,13H2,1H3
InChIKeyWWTZJKPMMVMBIO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine
CID 117290539
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(3-chloro-1H-indol-7-yl)methanol
CID 84658243
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-(5-fluoronaphthalen-1-yl)propan-1-amine
CID 105455459
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533
1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
2-(3-bromo-1H-indol-4-yl)propan-1-amine
CID 83900751

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1H-indol-7-yl)propan-1-amine?
The IUPAC name of 2-(3-chloro-1H-indol-7-yl)propan-1-amine (CID 117298104) is 2-(3-chloro-1H-indol-7-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chloro-1H-indol-7-yl)propan-1-amine?
The canonical SMILES for 2-(3-chloro-1H-indol-7-yl)propan-1-amine is CC(CN)c1cccc2c(Cl)c[nH]c12.
What is the InChIKey of 2-(3-chloro-1H-indol-7-yl)propan-1-amine?
The InChIKey is WWTZJKPMMVMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7(5-13)8-3-2-4-9-10(12)6-14-11(8)9/h2-4,6-7,14H,5,13H2,1H3.
What are the key properties of 2-(3-chloro-1H-indol-7-yl)propan-1-amine?
2-(3-chloro-1H-indol-7-yl)propan-1-amine has a molecular weight of 208.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1H-indol-7-yl)propan-1-amine is sourced from PubChem (CID 117298104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).