2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine

C13H18N2 — CID 82397045

IUPAC2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
SMILESCc1cc(C)c2[nH]cc(C(C)(C)N)c2c1
InChIInChI=1S/C13H18N2/c1-8-5-9(2)12-10(6-8)11(7-15-12)13(3,4)14/h5-7,15H,14H2,1-4H3
InChIKeyAUHPQSWCUIMQHR-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.98
Rot. Bonds1

About 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine

2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine (PubChem CID 82397045) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
PubChem CID82397045
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
SMILESCc1cc(C)c2[nH]cc(C(C)(C)N)c2c1
InChIInChI=1S/C13H18N2/c1-8-5-9(2)12-10(6-8)11(7-15-12)13(3,4)14/h5-7,15H,14H2,1-4H3
InChIKeyAUHPQSWCUIMQHR-UHFFFAOYSA-N
XLogP2.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine (CID 82397045) is 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine is Cc1cc(C)c2[nH]cc(C(C)(C)N)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is AUHPQSWCUIMQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8-5-9(2)12-10(6-8)11(7-15-12)13(3,4)14/h5-7,15H,14H2,1-4H3.
What are the key properties of 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine?
2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 82397045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).