3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol

C18H21NO2 — CID 65486887

IUPAC3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
SMILESCN(CCc1ccccc1)C1COc2ccccc2C1O
InChIInChI=1S/C18H21NO2/c1-19(12-11-14-7-3-2-4-8-14)16-13-21-17-10-6-5-9-15(17)18(16)20/h2-10,16,18,20H,11-13H2,1H3
InChIKeyBRLOAWVJQURPLJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.66
Rot. Bonds4

About 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol

3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 65486887) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
PubChem CID65486887
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
SMILESCN(CCc1ccccc1)C1COc2ccccc2C1O
InChIInChI=1S/C18H21NO2/c1-19(12-11-14-7-3-2-4-8-14)16-13-21-17-10-6-5-9-15(17)18(16)20/h2-10,16,18,20H,11-13H2,1H3
InChIKeyBRLOAWVJQURPLJ-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol
CID 79308794
8-chloro-3-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186909
3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 62545588
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
2,3-dihydro-1-benzofuran-3-ol
CID 585896
2-[(4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-3-yl)-methylamino]acetic acid
CID 82186631
(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 10538469
[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone
CID 140603866
3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187052
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol (CID 65486887) is 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol is CN(CCc1ccccc1)C1COc2ccccc2C1O.
What is the InChIKey of 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BRLOAWVJQURPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(12-11-14-7-3-2-4-8-14)16-13-21-17-10-6-5-9-15(17)18(16)20/h2-10,16,18,20H,11-13H2,1H3.
What are the key properties of 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol?
3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 283.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 65486887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).