2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol

C14H21NO — CID 82285998

IUPAC2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO/c1-9(2)13(15)14(16)12-7-6-10-4-3-5-11(10)8-12/h6-9,13-14,16H,3-5,15H2,1-2H3
InChIKeyWOKDETGGEAFUJC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol

2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol (PubChem CID 82285998) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
PubChem CID82285998
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO/c1-9(2)13(15)14(16)12-7-6-10-4-3-5-11(10)8-12/h6-9,13-14,16H,3-5,15H2,1-2H3
InChIKeyWOKDETGGEAFUJC-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-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

1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
2,3-dihydro-1H-inden-5-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 66476377
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
CID 114194360
(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
CID 169081091

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol (CID 82285998) is 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol is CC(C)C(N)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol?
The InChIKey is WOKDETGGEAFUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)13(15)14(16)12-7-6-10-4-3-5-11(10)8-12/h6-9,13-14,16H,3-5,15H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol?
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 82285998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).