N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline

C16H18N2O — CID 28720339

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccc2c(c1)NCCO2)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(14-5-3-2-4-6-14)12-13-7-8-16-15(11-13)17-9-10-19-16/h2-8,11,17H,9-10,12H2,1H3
InChIKeyBFMPVZKSGCKTQH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds3

About N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline

N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline (PubChem CID 28720339) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
PubChem CID28720339
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccc2c(c1)NCCO2)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(14-5-3-2-4-6-14)12-13-7-8-16-15(11-13)17-9-10-19-16/h2-8,11,17H,9-10,12H2,1H3
InChIKeyBFMPVZKSGCKTQH-UHFFFAOYSA-N
XLogP3.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline (CID 28720339) is N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline is CN(Cc1ccc2c(c1)NCCO2)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline?
The InChIKey is BFMPVZKSGCKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(14-5-3-2-4-6-14)12-13-7-8-16-15(11-13)17-9-10-19-16/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline?
N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline has a molecular weight of 254.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline is sourced from PubChem (CID 28720339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).