3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine

C12H16BrNO — CID 82709978

IUPAC3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine
SMILESCCONC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c1-2-15-14-12-7-10(8-12)9-3-5-11(13)6-4-9/h3-6,10,12,14H,2,7-8H2,1H3
InChIKeyRMAUFJILEVNUAU-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine

3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine (PubChem CID 82709978) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine
PubChem CID82709978
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine
SMILESCCONC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c1-2-15-14-12-7-10(8-12)9-3-5-11(13)6-4-9/h3-6,10,12,14H,2,7-8H2,1H3
InChIKeyRMAUFJILEVNUAU-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-bromophenyl)-N-ethoxycyclobutan-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

3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
CID 115325074
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
CID 103460849
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
3-(4-bromophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
CID 43731269
3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 81356335
3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine
CID 107167822
ethyl 2-[3-(4-bromophenyl)cyclobutyl]acetate
CID 135741391
3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63822564
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine (CID 82709978) is 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine is CCONC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine?
The InChIKey is RMAUFJILEVNUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-15-14-12-7-10(8-12)9-3-5-11(13)6-4-9/h3-6,10,12,14H,2,7-8H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine?
3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine is sourced from PubChem (CID 82709978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).