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

C13H15BrN2O — CID 66473023

IUPAC1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)c(C)c2)on1
InChIInChI=1S/C13H15BrN2O/c1-9-5-11(3-4-13(9)14)7-15-8-12-6-10(2)16-17-12/h3-6,15H,7-8H2,1-2H3
InChIKeyKZQYNTULOLPTDE-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.34
Rot. Bonds4

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

1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 66473023) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID66473023
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)c(C)c2)on1
InChIInChI=1S/C13H15BrN2O/c1-9-5-11(3-4-13(9)14)7-15-8-12-6-10(2)16-17-12/h3-6,15H,7-8H2,1-2H3
InChIKeyKZQYNTULOLPTDE-UHFFFAOYSA-N
XLogP3.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
N-[(4-bromo-3-methylphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103717247
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 66472041
1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 62135129
N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 66472165
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
N-[[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63045528
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
CID 95932159
1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 66472439
1-(4-bromo-3-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66472217
1-(4-bromo-3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79174504

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (CID 66473023) is 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is Cc1cc(CNCc2ccc(Br)c(C)c2)on1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is KZQYNTULOLPTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-5-11(3-4-13(9)14)7-15-8-12-6-10(2)16-17-12/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 295.18 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 66473023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).