2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol

C15H22N2O — CID 117194641

IUPAC2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
SMILESCNCCCc1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C15H22N2O/c1-11(2)17-12(6-5-9-16-3)10-13-14(17)7-4-8-15(13)18/h4,7-8,10-11,16,18H,5-6,9H2,1-3H3
InChIKeyYYMVEXLUPRYZJD-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds5

About 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol

2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol (PubChem CID 117194641) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol.

Molecular Properties

Compound Name2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
PubChem CID117194641
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
SMILESCNCCCc1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C15H22N2O/c1-11(2)17-12(6-5-9-16-3)10-13-14(17)7-4-8-15(13)18/h4,7-8,10-11,16,18H,5-6,9H2,1-3H3
InChIKeyYYMVEXLUPRYZJD-UHFFFAOYSA-N
XLogP3.08
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117194628
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117196610
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
2-(2-aminopropan-2-yl)-1-propan-2-ylindol-4-ol
CID 117120582
3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid
CID 117120620
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
3-[3-(methylamino)propyl]benzene-1,2-diol
CID 84732350

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol?
The IUPAC name of 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol (CID 117194641) is 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol.
What is the SMILES notation for 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol?
The canonical SMILES for 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol is CNCCCc1cc2c(O)cccc2n1C(C)C.
What is the InChIKey of 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol?
The InChIKey is YYMVEXLUPRYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)17-12(6-5-9-16-3)10-13-14(17)7-4-8-15(13)18/h4,7-8,10-11,16,18H,5-6,9H2,1-3H3.
What are the key properties of 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol?
2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol has a molecular weight of 246.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol is sourced from PubChem (CID 117194641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).