3-(6-chloro-2-methylindol-1-yl)propan-1-amine

C12H15ClN2 — CID 82494548

IUPAC3-(6-chloro-2-methylindol-1-yl)propan-1-amine
SMILESCc1cc2ccc(Cl)cc2n1CCCN
InChIInChI=1S/C12H15ClN2/c1-9-7-10-3-4-11(13)8-12(10)15(9)6-2-5-14/h3-4,7-8H,2,5-6,14H2,1H3
InChIKeyIFORFCVFKMHKBE-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.95
Rot. Bonds3

About 3-(6-chloro-2-methylindol-1-yl)propan-1-amine

3-(6-chloro-2-methylindol-1-yl)propan-1-amine (PubChem CID 82494548) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-(6-chloro-2-methylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-2-methylindol-1-yl)propan-1-amine
PubChem CID82494548
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-(6-chloro-2-methylindol-1-yl)propan-1-amine
SMILESCc1cc2ccc(Cl)cc2n1CCCN
InChIInChI=1S/C12H15ClN2/c1-9-7-10-3-4-11(13)8-12(10)15(9)6-2-5-14/h3-4,7-8H,2,5-6,14H2,1H3
InChIKeyIFORFCVFKMHKBE-UHFFFAOYSA-N
XLogP2.95
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-2-methylindol-1-yl)propan-1-amine (CID 82494548) is 3-(6-chloro-2-methylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-2-methylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-2-methylindol-1-yl)propan-1-amine is Cc1cc2ccc(Cl)cc2n1CCCN.
What is the InChIKey of 3-(6-chloro-2-methylindol-1-yl)propan-1-amine?
The InChIKey is IFORFCVFKMHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-9-7-10-3-4-11(13)8-12(10)15(9)6-2-5-14/h3-4,7-8H,2,5-6,14H2,1H3.
What are the key properties of 3-(6-chloro-2-methylindol-1-yl)propan-1-amine?
3-(6-chloro-2-methylindol-1-yl)propan-1-amine has a molecular weight of 222.72 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methylindol-1-yl)propan-1-amine is sourced from PubChem (CID 82494548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).