3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol

C15H23NO — CID 81339451

IUPAC3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-11(8-9-17)16-12(2)14-7-6-13-4-3-5-15(13)10-14/h6-7,10-12,16-17H,3-5,8-9H2,1-2H3
InChIKeyWHYWHJNDZNJBOH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.60
Rot. Bonds5

About 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol

3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol (PubChem CID 81339451) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
PubChem CID81339451
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-11(8-9-17)16-12(2)14-7-6-13-4-3-5-15(13)10-14/h6-7,10-12,16-17H,3-5,8-9H2,1-2H3
InChIKeyWHYWHJNDZNJBOH-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 81338020
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
4-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]pentan-1-ol
CID 61246406
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
CID 106180416
(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81391581

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol (CID 81339451) is 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol is CC(CCO)NC(C)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol?
The InChIKey is WHYWHJNDZNJBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(8-9-17)16-12(2)14-7-6-13-4-3-5-15(13)10-14/h6-7,10-12,16-17H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol?
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 81339451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).