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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Related Compounds

N-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylaniline
CID 82071668
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine
CID 82261347
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]acetic acid
CID 82261323
2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl-ethylamino]ethanol
CID 82071470
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
2-chloro-4-[(N-methylanilino)methyl]phenol
CID 82974348
6-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 58641530
2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260672
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-(3,4-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).