3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine

C15H22BrNO2 — CID 116870417

IUPAC3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(Br)cc1C1(CC(C)(C)CN)COC1
InChIInChI=1S/C15H22BrNO2/c1-14(2,8-17)7-15(9-19-10-15)12-6-11(16)4-5-13(12)18-3/h4-6H,7-10,17H2,1-3H3
InChIKeyIIVLKTUVXJLOIB-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.10
Rot. Bonds5

About 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine

3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 116870417) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID116870417
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(Br)cc1C1(CC(C)(C)CN)COC1
InChIInChI=1S/C15H22BrNO2/c1-14(2,8-17)7-15(9-19-10-15)12-6-11(16)4-5-13(12)18-3/h4-6H,7-10,17H2,1-3H3
InChIKeyIIVLKTUVXJLOIB-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine 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

methyl 2-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]acetate
CID 116873444
[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine
CID 116829597
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930
ethyl 3-(5-bromo-2-methoxyphenyl)oxetane-3-carboxylate
CID 116875798
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]pyrrolidine
CID 116870863
[2-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82124722
1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874689
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
3-[(5-bromo-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929943
4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
CID 10684359

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine (CID 116870417) is 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine is COc1ccc(Br)cc1C1(CC(C)(C)CN)COC1.
What is the InChIKey of 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is IIVLKTUVXJLOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-14(2,8-17)7-15(9-19-10-15)12-6-11(16)4-5-13(12)18-3/h4-6H,7-10,17H2,1-3H3.
What are the key properties of 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine?
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116870417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).