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

C15H23NO2 — CID 115880053

IUPAC2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)CC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-12(2)16(8-9-17)11-13-7-10-18-15-6-4-3-5-14(13)15/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyNNVGGROQEKOKNE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.26
Rot. Bonds5

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

2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol (PubChem CID 115880053) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
PubChem CID115880053
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)CC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-12(2)16(8-9-17)11-13-7-10-18-15-6-4-3-5-14(13)15/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyNNVGGROQEKOKNE-UHFFFAOYSA-N
XLogP2.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
CID 113451391
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
CID 104771323
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184
5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
CID 104771921
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104768583
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol (CID 115880053) is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol is CC(C)N(CCO)CC1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol?
The InChIKey is NNVGGROQEKOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)16(8-9-17)11-13-7-10-18-15-6-4-3-5-14(13)15/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol?
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 115880053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).