1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol

C20H33NO — CID 70386626

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol
SMILESCCCCCCC(CC)NCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C20H33NO/c1-3-5-6-7-12-19(4-2)21-15-20(22)18-13-16-10-8-9-11-17(16)14-18/h8-11,18-22H,3-7,12-15H2,1-2H3
InChIKeyYETKZJJECYFZOR-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.10
Rot. Bonds10

About 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol

1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol (PubChem CID 70386626) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol
PubChem CID70386626
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol
SMILESCCCCCCC(CC)NCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C20H33NO/c1-3-5-6-7-12-19(4-2)21-15-20(22)18-13-16-10-8-9-11-17(16)14-18/h8-11,18-22H,3-7,12-15H2,1-2H3
InChIKeyYETKZJJECYFZOR-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol 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-2-yl)hexan-1-ol
CID 65411363
1-(1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-ol
CID 65410598
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine
CID 65410933
1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol
CID 65409784
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
N-undecan-3-ylaniline
CID 171755615
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
CID 65410771
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol
CID 65410779

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol (CID 70386626) is 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol is CCCCCCC(CC)NCC(O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol?
The InChIKey is YETKZJJECYFZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-5-6-7-12-19(4-2)21-15-20(22)18-13-16-10-8-9-11-17(16)14-18/h8-11,18-22H,3-7,12-15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol?
1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol has a molecular weight of 303.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol is sourced from PubChem (CID 70386626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).