3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine

C15H22N2O — CID 96675442

IUPAC3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
SMILESCC(C)Oc1ccc2c(c1)c(CCCN)cn2C
InChIInChI=1S/C15H22N2O/c1-11(2)18-13-6-7-15-14(9-13)12(5-4-8-16)10-17(15)3/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyJJKFTGPRKSZAET-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.86
Rot. Bonds5

About 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine

3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine (PubChem CID 96675442) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
PubChem CID96675442
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
SMILESCC(C)Oc1ccc2c(c1)c(CCCN)cn2C
InChIInChI=1S/C15H22N2O/c1-11(2)18-13-6-7-15-14(9-13)12(5-4-8-16)10-17(15)3/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyJJKFTGPRKSZAET-UHFFFAOYSA-N
XLogP2.86
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 96674945
2-(5-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
ethyl 3-butyl-1-methylindole-5-carboxylate
CID 21086101

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine (CID 96675442) is 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine is CC(C)Oc1ccc2c(c1)c(CCCN)cn2C.
What is the InChIKey of 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine?
The InChIKey is JJKFTGPRKSZAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)18-13-6-7-15-14(9-13)12(5-4-8-16)10-17(15)3/h6-7,9-11H,4-5,8,16H2,1-3H3.
What are the key properties of 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine?
3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine is sourced from PubChem (CID 96675442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).