N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline

C18H22N2O — CID 82260884

IUPACN-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline
SMILESCC1CNc2cc(CCN(C)c3ccccc3)ccc2O1
InChIInChI=1S/C18H22N2O/c1-14-13-19-17-12-15(8-9-18(17)21-14)10-11-20(2)16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyMVQKRBODNSVMHE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds4

About N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline

N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline (PubChem CID 82260884) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline
PubChem CID82260884
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline
SMILESCC1CNc2cc(CCN(C)c3ccccc3)ccc2O1
InChIInChI=1S/C18H22N2O/c1-14-13-19-17-12-15(8-9-18(17)21-14)10-11-20(2)16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyMVQKRBODNSVMHE-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine
CID 82261139
N-methyl-N-[2-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]butan-1-amine
CID 82261076
2-(cyclohexen-1-yl)-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]ethanamine
CID 82261539
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine
CID 82261596
N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82261533
2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817465
6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817485
N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
CID 28720339
N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine
CID 82261572
2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260960
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline?
The IUPAC name of N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline (CID 82260884) is N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline?
The canonical SMILES for N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline is CC1CNc2cc(CCN(C)c3ccccc3)ccc2O1.
What is the InChIKey of N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline?
The InChIKey is MVQKRBODNSVMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-13-19-17-12-15(8-9-18(17)21-14)10-11-20(2)16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline?
N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline has a molecular weight of 282.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline is sourced from PubChem (CID 82260884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).