[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone

C18H20N2O2 — CID 82339335

IUPAC[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(C)Oc2cc(CN)ccc21
InChIInChI=1S/C18H20N2O2/c1-12-5-3-4-6-15(12)18(21)20-11-13(2)22-17-9-14(10-19)7-8-16(17)20/h3-9,13H,10-11,19H2,1-2H3
InChIKeyAMAPNXPWNFNFKH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.88
Rot. Bonds2

About [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone

[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone (PubChem CID 82339335) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone
PubChem CID82339335
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(C)Oc2cc(CN)ccc21
InChIInChI=1S/C18H20N2O2/c1-12-5-3-4-6-15(12)18(21)20-11-13(2)22-17-9-14(10-19)7-8-16(17)20/h3-9,13H,10-11,19H2,1-2H3
InChIKeyAMAPNXPWNFNFKH-UHFFFAOYSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-phenylethanone
CID 82339338
7-(aminomethyl)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 82339339
1-[6-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82096690
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
CID 82339051
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065
[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339059
3-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 95972458
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;hydrochloride
CID 120793633
(2,5-dimethyl-1,3-oxazol-4-yl)-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 122156375
1-[7-(aminomethyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methylbutan-1-one
CID 82339390

Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone?
The IUPAC name of [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone (CID 82339335) is [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CC(C)Oc2cc(CN)ccc21.
What is the InChIKey of [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone?
The InChIKey is AMAPNXPWNFNFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-5-3-4-6-15(12)18(21)20-11-13(2)22-17-9-14(10-19)7-8-16(17)20/h3-9,13H,10-11,19H2,1-2H3.
What are the key properties of [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone?
[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 82339335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).