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

C14H17BrN2O2 — CID 103893565

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCOc1ccc(Br)c(CNC(C)c2ncc(C)o2)c1
InChIInChI=1S/C14H17BrN2O2/c1-9-7-17-14(19-9)10(2)16-8-11-6-12(18-3)4-5-13(11)15/h4-7,10,16H,8H2,1-3H3
InChIKeyCHSINWCZLJLEQK-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.60
Rot. Bonds5

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

N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 103893565) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID103893565
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCOc1ccc(Br)c(CNC(C)c2ncc(C)o2)c1
InChIInChI=1S/C14H17BrN2O2/c1-9-7-17-14(19-9)10(2)16-8-11-6-12(18-3)4-5-13(11)15/h4-7,10,16H,8H2,1-3H3
InChIKeyCHSINWCZLJLEQK-UHFFFAOYSA-N
XLogP3.60
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893765
N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365422
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113347390
N-[(2-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893432
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355551
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 65323834
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81400902
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
2-methoxy-4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 106388011
N-[(4-bromo-3-nitrophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773371
3-[1-[(2-bromo-5-methoxyphenyl)methylamino]ethyl]phenol
CID 103827970

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 103893565) is N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is COc1ccc(Br)c(CNC(C)c2ncc(C)o2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is CHSINWCZLJLEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-7-17-14(19-9)10(2)16-8-11-6-12(18-3)4-5-13(11)15/h4-7,10,16H,8H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 325.21 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 103893565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).