2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol

C15H24N2O2 — CID 82071470

IUPAC2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCc1ccc2c(c1)NCCO2
InChIInChI=1S/C15H24N2O2/c1-2-17(9-10-18)8-3-4-13-5-6-15-14(12-13)16-7-11-19-15/h5-6,12,16,18H,2-4,7-11H2,1H3
InChIKeyUZJVXBYOSNFIFV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds7

About 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol

2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol (PubChem CID 82071470) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol
PubChem CID82071470
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCc1ccc2c(c1)NCCO2
InChIInChI=1S/C15H24N2O2/c1-2-17(9-10-18)8-3-4-13-5-6-15-14(12-13)16-7-11-19-15/h5-6,12,16,18H,2-4,7-11H2,1H3
InChIKeyUZJVXBYOSNFIFV-UHFFFAOYSA-N
XLogP1.74
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline
CID 82071668
N-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 82261405
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine
CID 82071623
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
2-(diethylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82050770
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]-2-methylpropan-1-ol
CID 82261365
2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008924
N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
CID 28720339
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 142558688
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 82261463

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol?
The IUPAC name of 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol (CID 82071470) is 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol is CCN(CCO)CCCc1ccc2c(c1)NCCO2.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol?
The InChIKey is UZJVXBYOSNFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-17(9-10-18)8-3-4-13-5-6-15-14(12-13)16-7-11-19-15/h5-6,12,16,18H,2-4,7-11H2,1H3.
What are the key properties of 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol?
2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol is sourced from PubChem (CID 82071470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).