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

C14H17BrN2O — CID 113365422

IUPACN-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ncc(C)o2)c(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-9-4-5-12(13(15)6-9)8-16-11(3)14-17-7-10(2)18-14/h4-7,11,16H,8H2,1-3H3
InChIKeyCLPPDMDEQZYOND-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.90
Rot. Bonds4

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

N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 113365422) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID113365422
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ncc(C)o2)c(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-9-4-5-12(13(15)6-9)8-16-11(3)14-17-7-10(2)18-14/h4-7,11,16H,8H2,1-3H3
InChIKeyCLPPDMDEQZYOND-UHFFFAOYSA-N
XLogP3.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113347390
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893565
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893765
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
3-chloro-4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzonitrile
CID 102676337
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
N-[(2-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893432
N-[(3-bromo-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893585
N-[(4-bromo-3-nitrophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773371
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 113365422) is N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is Cc1ccc(CNC(C)c2ncc(C)o2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is CLPPDMDEQZYOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-9-4-5-12(13(15)6-9)8-16-11(3)14-17-7-10(2)18-14/h4-7,11,16H,8H2,1-3H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 309.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 113365422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).