2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine

C12H17ClN2 — CID 83868516

IUPAC2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCc1c(Cl)ccc2c1NCC2C(C)CN
InChIInChI=1S/C12H17ClN2/c1-7(5-14)10-6-15-12-8(2)11(13)4-3-9(10)12/h3-4,7,10,15H,5-6,14H2,1-2H3
InChIKeyMDBARXGACCZUOS-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.75
Rot. Bonds2

About 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine

2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine (PubChem CID 83868516) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
PubChem CID83868516
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCc1c(Cl)ccc2c1NCC2C(C)CN
InChIInChI=1S/C12H17ClN2/c1-7(5-14)10-6-15-12-8(2)11(13)4-3-9(10)12/h3-4,7,10,15H,5-6,14H2,1-2H3
InChIKeyMDBARXGACCZUOS-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine (CID 83868516) is 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine is Cc1c(Cl)ccc2c1NCC2C(C)CN.
What is the InChIKey of 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The InChIKey is MDBARXGACCZUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-7(5-14)10-6-15-12-8(2)11(13)4-3-9(10)12/h3-4,7,10,15H,5-6,14H2,1-2H3.
What are the key properties of 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine has a molecular weight of 224.73 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83868516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).