[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine

C17H19FN2O — CID 82339059

IUPAC[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
SMILESCC1CN(Cc2ccc(F)cc2)c2ccc(CN)cc2O1
InChIInChI=1S/C17H19FN2O/c1-12-10-20(11-13-2-5-15(18)6-3-13)16-7-4-14(9-19)8-17(16)21-12/h2-8,12H,9-11,19H2,1H3
InChIKeyPXZTZRQIRNRMEI-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.07
Rot. Bonds3

About [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine

[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine (PubChem CID 82339059) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
PubChem CID82339059
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
SMILESCC1CN(Cc2ccc(F)cc2)c2ccc(CN)cc2O1
InChIInChI=1S/C17H19FN2O/c1-12-10-20(11-13-2-5-15(18)6-3-13)16-7-4-14(9-19)8-17(16)21-12/h2-8,12H,9-11,19H2,1H3
InChIKeyPXZTZRQIRNRMEI-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065
(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339198
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
4-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025211
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
2,7-dimethyl-4-(pyrimidin-5-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 86801188
1-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-phenylethanone
CID 82339338
(2,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 117046214
[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone
CID 82339335
7-(aminomethyl)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 82339339
propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
CID 82339051
1-[6-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82096690

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine (CID 82339059) is [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine is CC1CN(Cc2ccc(F)cc2)c2ccc(CN)cc2O1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
The InChIKey is PXZTZRQIRNRMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-10-20(11-13-2-5-15(18)6-3-13)16-7-4-14(9-19)8-17(16)21-12/h2-8,12H,9-11,19H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine has a molecular weight of 286.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine is sourced from PubChem (CID 82339059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).