1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol

C17H19NO2 — CID 106695578

IUPAC1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESNc1ccc(C(O)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H19NO2/c18-14-7-5-12(6-8-14)16(19)11-13-9-10-20-17-4-2-1-3-15(13)17/h1-8,13,16,19H,9-11,18H2
InChIKeyAOYDOVGISPZIAY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol

1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol (PubChem CID 106695578) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
PubChem CID106695578
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESNc1ccc(C(O)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H19NO2/c18-14-7-5-12(6-8-14)16(19)11-13-9-10-20-17-4-2-1-3-15(13)17/h1-8,13,16,19H,9-11,18H2
InChIKeyAOYDOVGISPZIAY-UHFFFAOYSA-N
XLogP3.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104770056
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfanyl)aniline
CID 104768616
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554040

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol (CID 106695578) is 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol is Nc1ccc(C(O)CC2CCOc3ccccc32)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The InChIKey is AOYDOVGISPZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-14-7-5-12(6-8-14)16(19)11-13-9-10-20-17-4-2-1-3-15(13)17/h1-8,13,16,19H,9-11,18H2.
What are the key properties of 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol has a molecular weight of 269.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol is sourced from PubChem (CID 106695578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).