N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine

C13H18N2O — CID 144994822

IUPACN-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CNc2ccccc2O1
InChIInChI=1S/C13H18N2O/c1-3-8-14-10(2)13-9-15-11-6-4-5-7-12(11)16-13/h4-7,13-15H,2-3,8-9H2,1H3
InChIKeyCUNOHVPATJIINN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.37
Rot. Bonds4

About N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine

N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine (PubChem CID 144994822) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine
PubChem CID144994822
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CNc2ccccc2O1
InChIInChI=1S/C13H18N2O/c1-3-8-14-10(2)13-9-15-11-6-4-5-7-12(11)16-13/h4-7,13-15H,2-3,8-9H2,1H3
InChIKeyCUNOHVPATJIINN-UHFFFAOYSA-N
XLogP2.37
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine (CID 144994822) is N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine is C=C(NCCC)C1CNc2ccccc2O1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine?
The InChIKey is CUNOHVPATJIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-8-14-10(2)13-9-15-11-6-4-5-7-12(11)16-13/h4-7,13-15H,2-3,8-9H2,1H3.
What are the key properties of N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethenyl]propan-1-amine is sourced from PubChem (CID 144994822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).