[(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine

C17H20N2O — CID 68547165

IUPAC[(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine
SMILESCc1ccccc1-c1cccc2c1O[C@@H](CN)CN2C
InChIInChI=1S/C17H20N2O/c1-12-6-3-4-7-14(12)15-8-5-9-16-17(15)20-13(10-18)11-19(16)2/h3-9,13H,10-11,18H2,1-2H3/t13-/m0/s1
InChIKeySSOLTFDSZFMOPJ-ZDUSSCGKSA-N
MW268.36 g/mol
LogP2.82
Rot. Bonds2

About [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine

[(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine (PubChem CID 68547165) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine
PubChem CID68547165
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine
SMILESCc1ccccc1-c1cccc2c1O[C@@H](CN)CN2C
InChIInChI=1S/C17H20N2O/c1-12-6-3-4-7-14(12)15-8-5-9-16-17(15)20-13(10-18)11-19(16)2/h3-9,13H,10-11,18H2,1-2H3/t13-/m0/s1
InChIKeySSOLTFDSZFMOPJ-ZDUSSCGKSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-8-(2-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine
CID 24985008
[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
CID 58765444
methane;(2R)-2-(methoxymethyl)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 157326649
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960947
[(2R)-5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383347
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964410
(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 159298384
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine?
The IUPAC name of [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine (CID 68547165) is [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine is Cc1ccccc1-c1cccc2c1O[C@@H](CN)CN2C.
What is the InChIKey of [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine?
The InChIKey is SSOLTFDSZFMOPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-3-4-7-14(12)15-8-5-9-16-17(15)20-13(10-18)11-19(16)2/h3-9,13H,10-11,18H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine?
[(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine is sourced from PubChem (CID 68547165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).