2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol

C14H21NO3 — CID 104770923

IUPAC2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC1CCOc2ccccc21
InChIInChI=1S/C14H21NO3/c16-8-6-15(7-9-17)11-12-5-10-18-14-4-2-1-3-13(12)14/h1-4,12,16-17H,5-11H2
InChIKeyORWHSSBUFUZBIY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds6

About 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol

2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 104770923) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
PubChem CID104770923
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC1CCOc2ccccc21
InChIInChI=1S/C14H21NO3/c16-8-6-15(7-9-17)11-12-5-10-18-14-4-2-1-3-13(12)14/h1-4,12,16-17H,5-11H2
InChIKeyORWHSSBUFUZBIY-UHFFFAOYSA-N
XLogP0.84
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]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

2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propan-1-amine
CID 113451450
N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
CID 113451131
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
CID 104771418
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
CID 113451391
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
CID 115882041
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol (CID 104770923) is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CC1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is ORWHSSBUFUZBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-8-6-15(7-9-17)11-12-5-10-18-14-4-2-1-3-13(12)14/h1-4,12,16-17H,5-11H2.
What are the key properties of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol?
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 251.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 104770923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).