2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol

C18H30N2O — CID 102661865

IUPAC2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
SMILESCCCNC(C)c1ccc2c(c1)CCN2CCC(C)(C)O
InChIInChI=1S/C18H30N2O/c1-5-10-19-14(2)15-6-7-17-16(13-15)8-11-20(17)12-9-18(3,4)21/h6-7,13-14,19,21H,5,8-12H2,1-4H3
InChIKeyHNTVBYMBUVUWTQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.27
Rot. Bonds7

About 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol

2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol (PubChem CID 102661865) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
PubChem CID102661865
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
SMILESCCCNC(C)c1ccc2c(c1)CCN2CCC(C)(C)O
InChIInChI=1S/C18H30N2O/c1-5-10-19-14(2)15-6-7-17-16(13-15)8-11-20(17)12-9-18(3,4)21/h6-7,13-14,19,21H,5,8-12H2,1-4H3
InChIKeyHNTVBYMBUVUWTQ-UHFFFAOYSA-N
XLogP3.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
CID 102661847
2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122
N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677
N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
CID 107899433
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
N-ethyl-1-[1-(3-fluoropropyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661804
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol (CID 102661865) is 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol is CCCNC(C)c1ccc2c(c1)CCN2CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol?
The InChIKey is HNTVBYMBUVUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-10-19-14(2)15-6-7-17-16(13-15)8-11-20(17)12-9-18(3,4)21/h6-7,13-14,19,21H,5,8-12H2,1-4H3.
What are the key properties of 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol?
2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol is sourced from PubChem (CID 102661865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).