1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine

C15H22BrNO — CID 102947699

IUPAC1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCC1CCC1
InChIInChI=1S/C15H22BrNO/c1-3-17-11(2)14-8-7-13(16)9-15(14)18-10-12-5-4-6-12/h7-9,11-12,17H,3-6,10H2,1-2H3
InChIKeySHIJIXWRMVNBBT-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.30
Rot. Bonds6

About 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 102947699) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
PubChem CID102947699
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCC1CCC1
InChIInChI=1S/C15H22BrNO/c1-3-17-11(2)14-8-7-13(16)9-15(14)18-10-12-5-4-6-12/h7-9,11-12,17H,3-6,10H2,1-2H3
InChIKeySHIJIXWRMVNBBT-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine 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-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 82953599
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
1-[4-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-N-ethylethanamine
CID 82956092
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine (CID 102947699) is 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCC1CCC1.
What is the InChIKey of 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is SHIJIXWRMVNBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-17-11(2)14-8-7-13(16)9-15(14)18-10-12-5-4-6-12/h7-9,11-12,17H,3-6,10H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102947699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).