2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine

C12H18N2 — CID 83860329

IUPAC2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCc1ccc2c(c1)C(C(C)CN)CN2
InChIInChI=1S/C12H18N2/c1-8-3-4-12-10(5-8)11(7-14-12)9(2)6-13/h3-5,9,11,14H,6-7,13H2,1-2H3
InChIKeyNSXMQQPMWBOSTA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.10
Rot. Bonds2

About 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine

2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine (PubChem CID 83860329) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
PubChem CID83860329
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCc1ccc2c(c1)C(C(C)CN)CN2
InChIInChI=1S/C12H18N2/c1-8-3-4-12-10(5-8)11(7-14-12)9(2)6-13/h3-5,9,11,14H,6-7,13H2,1-2H3
InChIKeyNSXMQQPMWBOSTA-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine (CID 83860329) is 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine is Cc1ccc2c(c1)C(C(C)CN)CN2.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The InChIKey is NSXMQQPMWBOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-3-4-12-10(5-8)11(7-14-12)9(2)6-13/h3-5,9,11,14H,6-7,13H2,1-2H3.
What are the key properties of 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83860329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).