1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine

C13H15FN2O — CID 62135129

IUPAC1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(F)cc2C)on1
InChIInChI=1S/C13H15FN2O/c1-9-5-12(14)4-3-11(9)7-15-8-13-6-10(2)16-17-13/h3-6,15H,7-8H2,1-2H3
InChIKeySMXFJVFBPBDROR-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine

1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 62135129) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID62135129
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(F)cc2C)on1
InChIInChI=1S/C13H15FN2O/c1-9-5-12(14)4-3-11(9)7-15-8-13-6-10(2)16-17-13/h3-6,15H,7-8H2,1-2H3
InChIKeySMXFJVFBPBDROR-UHFFFAOYSA-N
XLogP2.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257001
4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 42481684
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 102919819
3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089
5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzenecarbothioamide
CID 55234103
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570
1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66473023
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
CID 107320083
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (CID 62135129) is 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is Cc1cc(CNCc2ccc(F)cc2C)on1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is SMXFJVFBPBDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9-5-12(14)4-3-11(9)7-15-8-13-6-10(2)16-17-13/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 234.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 62135129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).