2-(1H-indol-3-yl)propan-2-amine

C11H14N2 — CID 18668060

IUPAC2-(1H-indol-3-yl)propan-2-amine
SMILESCC(C)(N)c1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2/c1-11(2,12)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,12H2,1-2H3
InChIKeyYTPDBXYXVZCICR-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.36
Rot. Bonds1

About 2-(1H-indol-3-yl)propan-2-amine

2-(1H-indol-3-yl)propan-2-amine (PubChem CID 18668060) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)propan-2-amine
PubChem CID18668060
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(1H-indol-3-yl)propan-2-amine
SMILESCC(C)(N)c1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2/c1-11(2,12)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,12H2,1-2H3
InChIKeyYTPDBXYXVZCICR-UHFFFAOYSA-N
XLogP2.36
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
CID 159014454
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
CID 72793438
(2R)-2-(1H-indol-3-yl)-2-methoxypropanamide
CID 141348863
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of 2-(1H-indol-3-yl)propan-2-amine (CID 18668060) is 2-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 2-(1H-indol-3-yl)propan-2-amine is CC(C)(N)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)propan-2-amine?
The InChIKey is YTPDBXYXVZCICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,12)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,12H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)propan-2-amine?
2-(1H-indol-3-yl)propan-2-amine has a molecular weight of 174.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 18668060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).