2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine

C15H22N2O2 — CID 82261461

IUPAC2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1cc2c(cc1CCNCC1CCCO1)NCCO2
InChIInChI=1S/C15H22N2O2/c1-2-13(18-8-1)11-16-6-5-12-3-4-15-14(10-12)17-7-9-19-15/h3-4,10,13,16-17H,1-2,5-9,11H2
InChIKeyRXWOEZLHPXNBOH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds5

About 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 82261461) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID82261461
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1cc2c(cc1CCNCC1CCCO1)NCCO2
InChIInChI=1S/C15H22N2O2/c1-2-13(18-8-1)11-16-6-5-12-3-4-15-14(10-12)17-7-9-19-15/h3-4,10,13,16-17H,1-2,5-9,11H2
InChIKeyRXWOEZLHPXNBOH-UHFFFAOYSA-N
XLogP1.80
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 82261463
2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
CID 82261489
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94177635
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[2-(4-hydroxyphenyl)ethylamino]ethanone
CID 95416716
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111562296
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 60976116

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 82261461) is 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine is c1cc2c(cc1CCNCC1CCCO1)NCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is RXWOEZLHPXNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-13(18-8-1)11-16-6-5-12-3-4-15-14(10-12)17-7-9-19-15/h3-4,10,13,16-17H,1-2,5-9,11H2.
What are the key properties of 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 82261461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).