1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine

C14H20BrNO — CID 114157575

IUPAC1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCCC1CCC1
InChIInChI=1S/C14H20BrNO/c1-10(16)13-6-5-12(15)9-14(13)17-8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8,16H2,1H3
InChIKeyNDBDYURTWCEVQS-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.04
Rot. Bonds5

About 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine

1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine (PubChem CID 114157575) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
PubChem CID114157575
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCCC1CCC1
InChIInChI=1S/C14H20BrNO/c1-10(16)13-6-5-12(15)9-14(13)17-8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8,16H2,1H3
InChIKeyNDBDYURTWCEVQS-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine 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

(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 102946902
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine (CID 114157575) is 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine is CC(N)c1ccc(Br)cc1OCCC1CCC1.
What is the InChIKey of 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine?
The InChIKey is NDBDYURTWCEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(16)13-6-5-12(15)9-14(13)17-8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8,16H2,1H3.
What are the key properties of 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine?
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine is sourced from PubChem (CID 114157575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).