[3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine

C15H13BrN2O2 — CID 167875346

IUPAC[3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2noc3cc(Br)ccc23)c1
InChIInChI=1S/C15H13BrN2O2/c16-11-4-5-13-14(18-20-15(13)7-11)9-19-12-3-1-2-10(6-12)8-17/h1-7H,8-9,17H2
InChIKeyMMAGPHKVCZCDCM-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.63
Rot. Bonds4

About [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine

[3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 167875346) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine
PubChem CID167875346
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name[3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2noc3cc(Br)ccc23)c1
InChIInChI=1S/C15H13BrN2O2/c16-11-4-5-13-14(18-20-15(13)7-11)9-19-12-3-1-2-10(6-12)8-17/h1-7H,8-9,17H2
InChIKeyMMAGPHKVCZCDCM-UHFFFAOYSA-N
XLogP3.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine 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

3-(Bromomethyl)-5-methoxy-1,2-benzoxazole
CID 12208924
6-Bromo-3-[4-(methyloxy)phenyl]-1,2-benzisoxazole
CID 57550760
5-(2-Fluoro-4-bromophenoxy)-3-methylbenzisoxazole
CID 14771604
(NE)-N-[[4-bromo-2-[[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methylidene]hydroxylamine
CID 88867635
3-[3-[5-Bromo-2-(nitrosomethyl)phenoxy]prop-1-ynyl]-5-phenyl-4-(trifluoromethyl)-1,2-oxazole
CID 123823876
6-Bromo-3-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazole
CID 135345826
[4-Bromo-2-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]prop-2-ynoxy]phenyl]methanimine
CID 144186917
3-(2-Bromoethyl)-5-[(4-fluorophenyl)methoxy]-1,2-benzoxazole
CID 39097618
2-[1,2-Benzoxazol-3-yl(bromo)methoxy]ethanamine
CID 18696071
2-[(4-Bromo-1,2-benzoxazol-3-yl)oxy]ethanamine
CID 18696161
2-(1,2-Benzoxazol-3-ylmethoxy)ethanamine
CID 18696224
6-[4-(6-Bromo-benzo[d]-isoxazol-3-yl)-phenoxy]-hexyl-methyl-amine
CID 22446497

Frequently Asked Questions

What is the IUPAC name of [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine (CID 167875346) is [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine is NCc1cccc(OCc2noc3cc(Br)ccc23)c1.
What is the InChIKey of [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is MMAGPHKVCZCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-11-4-5-13-14(18-20-15(13)7-11)9-19-12-3-1-2-10(6-12)8-17/h1-7H,8-9,17H2.
What are the key properties of [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine?
[3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 333.19 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-bromo-1,2-benzoxazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 167875346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).