4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

C15H23NO2 — CID 114210431

IUPAC4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCOCCC(CO)NC1CCc2ccc(C)cc21
InChIInChI=1S/C15H23NO2/c1-11-3-4-12-5-6-15(14(12)9-11)16-13(10-17)7-8-18-2/h3-4,9,13,15-17H,5-8,10H2,1-2H3
InChIKeyQGLQZMDJKZUDSH-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.97
Rot. Bonds6

About 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (PubChem CID 114210431) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
PubChem CID114210431
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCOCCC(CO)NC1CCc2ccc(C)cc21
InChIInChI=1S/C15H23NO2/c1-11-3-4-12-5-6-15(14(12)9-11)16-13(10-17)7-8-18-2/h3-4,9,13,15-17H,5-8,10H2,1-2H3
InChIKeyQGLQZMDJKZUDSH-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol with MolForge

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Related Compounds

2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785190
6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385
4-methoxy-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 114210469
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
N-(1-cyclobutylethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113348472
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (CID 114210431) is 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is COCCC(CO)NC1CCc2ccc(C)cc21.
What is the InChIKey of 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The InChIKey is QGLQZMDJKZUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-3-4-12-5-6-15(14(12)9-11)16-13(10-17)7-8-18-2/h3-4,9,13,15-17H,5-8,10H2,1-2H3.
What are the key properties of 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 114210431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).