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

C19H24N2O — CID 82071668

IUPACN-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline
SMILESCCN(CCCc1ccc2c(c1)NCCO2)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-2-21(17-8-4-3-5-9-17)13-6-7-16-10-11-19-18(15-16)20-12-14-22-19/h3-5,8-11,15,20H,2,6-7,12-14H2,1H3
InChIKeyNLVBOPPRRDIRFX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.95
Rot. Bonds6

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

N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline (PubChem CID 82071668) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline
PubChem CID82071668
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline
SMILESCCN(CCCc1ccc2c(c1)NCCO2)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-2-21(17-8-4-3-5-9-17)13-6-7-16-10-11-19-18(15-16)20-12-14-22-19/h3-5,8-11,15,20H,2,6-7,12-14H2,1H3
InChIKeyNLVBOPPRRDIRFX-UHFFFAOYSA-N
XLogP3.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol
CID 82071470
N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
CID 28720339
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
N-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 82261405
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 82261463
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(N-ethylanilino)propyl]-1-methylurea
CID 55575914
2-(cyclohexen-1-yl)-N-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
CID 82261489
1-[3-(N-ethylanilino)propyl]imidazolidin-2-one
CID 112708178
4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol
CID 82261317

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline?
The IUPAC name of N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline (CID 82071668) is N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline?
The canonical SMILES for N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline is CCN(CCCc1ccc2c(c1)NCCO2)c1ccccc1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline?
The InChIKey is NLVBOPPRRDIRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-21(17-8-4-3-5-9-17)13-6-7-16-10-11-19-18(15-16)20-12-14-22-19/h3-5,8-11,15,20H,2,6-7,12-14H2,1H3.
What are the key properties of N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline?
N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline has a molecular weight of 296.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline is sourced from PubChem (CID 82071668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).