N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C15H20BrN3O — CID 62463600

IUPACN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2cccc(Br)c2)on1
InChIInChI=1S/C15H20BrN3O/c1-3-17-9-14-8-15(20-18-14)11-19(2)10-12-5-4-6-13(16)7-12/h4-8,17H,3,9-11H2,1-2H3
InChIKeyNANJNKKXMLXGFD-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.18
Rot. Bonds7

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

N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62463600) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62463600
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2cccc(Br)c2)on1
InChIInChI=1S/C15H20BrN3O/c1-3-17-9-14-8-15(20-18-14)11-19(2)10-12-5-4-6-13(16)7-12/h4-8,17H,3,9-11H2,1-2H3
InChIKeyNANJNKKXMLXGFD-UHFFFAOYSA-N
XLogP3.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62411380
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62422427
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140120
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62462712
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62438314
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62463600) is N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN(C)Cc2cccc(Br)c2)on1.
What is the InChIKey of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is NANJNKKXMLXGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-17-9-14-8-15(20-18-14)11-19(2)10-12-5-4-6-13(16)7-12/h4-8,17H,3,9-11H2,1-2H3.
What are the key properties of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62463600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).