2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol

C12H17NO2 — CID 82241510

IUPAC2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
SMILESNCC(O)c1ccc2c(c1)CCCCO2
InChIInChI=1S/C12H17NO2/c13-8-11(14)9-4-5-12-10(7-9)3-1-2-6-15-12/h4-5,7,11,14H,1-3,6,8,13H2
InChIKeyRDRZKDVDRYDPDW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.39
Rot. Bonds2

About 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol

2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol (PubChem CID 82241510) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
PubChem CID82241510
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
SMILESNCC(O)c1ccc2c(c1)CCCCO2
InChIInChI=1S/C12H17NO2/c13-8-11(14)9-4-5-12-10(7-9)3-1-2-6-15-12/h4-5,7,11,14H,1-3,6,8,13H2
InChIKeyRDRZKDVDRYDPDW-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 60869534
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol?
The IUPAC name of 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol (CID 82241510) is 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol?
The canonical SMILES for 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol is NCC(O)c1ccc2c(c1)CCCCO2.
What is the InChIKey of 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol?
The InChIKey is RDRZKDVDRYDPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-8-11(14)9-4-5-12-10(7-9)3-1-2-6-15-12/h4-5,7,11,14H,1-3,6,8,13H2.
What are the key properties of 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol?
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol is sourced from PubChem (CID 82241510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).