4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine

C16H24BrNO2 — CID 86804392

IUPAC4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine
SMILESCOCC(C)CNC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C16H24BrNO2/c1-13(12-19-2)11-18-16(6-8-20-9-7-16)14-4-3-5-15(17)10-14/h3-5,10,13,18H,6-9,11-12H2,1-2H3
InChIKeyGAEPOCZGJCIDPY-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.33
Rot. Bonds6

About 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine

4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine (PubChem CID 86804392) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine
PubChem CID86804392
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine
SMILESCOCC(C)CNC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C16H24BrNO2/c1-13(12-19-2)11-18-16(6-8-20-9-7-16)14-4-3-5-15(17)10-14/h3-5,10,13,18H,6-9,11-12H2,1-2H3
InChIKeyGAEPOCZGJCIDPY-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-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

2-[2-[[4-(3-bromophenyl)oxan-4-yl]amino]ethoxy]ethanol
CID 111332754
4-(3-bromophenyl)-N-methyloxan-4-amine
CID 83693917
2-[[4-(3-bromophenyl)oxan-4-yl]amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 60573202
2-[[4-(3-bromophenyl)oxan-4-yl]amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 60572748
4-(3-bromophenyl)-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 86776912
methyl N-[2-[[4-(3-bromophenyl)oxan-4-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71886185
N-[2-(3-bromophenoxy)ethyl]-4-(4-fluorophenyl)oxan-4-amine
CID 86899764
tert-butyl N-[(2S)-4-[[1-(3-bromophenyl)cyclopropyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 142873960
3-[4-[(2-hydroxy-3-methylbutyl)amino]oxan-4-yl]benzonitrile
CID 167743049
4-[[[4-(3-bromophenyl)oxan-4-yl]amino]methyl]-N-phenylbenzamide
CID 60572851
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119738802
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine?
The IUPAC name of 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine (CID 86804392) is 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine.
What is the SMILES notation for 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine?
The canonical SMILES for 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine is COCC(C)CNC1(c2cccc(Br)c2)CCOCC1.
What is the InChIKey of 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine?
The InChIKey is GAEPOCZGJCIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-13(12-19-2)11-18-16(6-8-20-9-7-16)14-4-3-5-15(17)10-14/h3-5,10,13,18H,6-9,11-12H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine?
4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine has a molecular weight of 342.28 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine is sourced from PubChem (CID 86804392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).