1-(4-methylindol-1-yl)propan-2-amine

C12H16N2 — CID 10487869

IUPAC1-(4-methylindol-1-yl)propan-2-amine
SMILESCc1cccc2c1ccn2CC(C)N
InChIInChI=1S/C12H16N2/c1-9-4-3-5-12-11(9)6-7-14(12)8-10(2)13/h3-7,10H,8,13H2,1-2H3
InChIKeyYMEHSPLPRQDLLW-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds2

About 1-(4-methylindol-1-yl)propan-2-amine

1-(4-methylindol-1-yl)propan-2-amine (PubChem CID 10487869) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(4-methylindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methylindol-1-yl)propan-2-amine
PubChem CID10487869
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(4-methylindol-1-yl)propan-2-amine
SMILESCc1cccc2c1ccn2CC(C)N
InChIInChI=1S/C12H16N2/c1-9-4-3-5-12-11(9)6-7-14(12)8-10(2)13/h3-7,10H,8,13H2,1-2H3
InChIKeyYMEHSPLPRQDLLW-UHFFFAOYSA-N
XLogP2.30
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylindol-1-yl)propan-2-amine?
The IUPAC name of 1-(4-methylindol-1-yl)propan-2-amine (CID 10487869) is 1-(4-methylindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methylindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-methylindol-1-yl)propan-2-amine is Cc1cccc2c1ccn2CC(C)N.
What is the InChIKey of 1-(4-methylindol-1-yl)propan-2-amine?
The InChIKey is YMEHSPLPRQDLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-4-3-5-12-11(9)6-7-14(12)8-10(2)13/h3-7,10H,8,13H2,1-2H3.
What are the key properties of 1-(4-methylindol-1-yl)propan-2-amine?
1-(4-methylindol-1-yl)propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylindol-1-yl)propan-2-amine is sourced from PubChem (CID 10487869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).