1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol

C14H20BrNO2 — CID 117499840

IUPAC1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)ccc1OCC1CCC1
InChIInChI=1S/C14H20BrNO2/c1-16-8-13(17)12-7-11(15)5-6-14(12)18-9-10-3-2-4-10/h5-7,10,13,16-17H,2-4,8-9H2,1H3
InChIKeyCIQIWZGWIBVUEY-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.88
Rot. Bonds6

About 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol

1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol (PubChem CID 117499840) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
PubChem CID117499840
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)ccc1OCC1CCC1
InChIInChI=1S/C14H20BrNO2/c1-16-8-13(17)12-7-11(15)5-6-14(12)18-9-10-3-2-4-10/h5-7,10,13,16-17H,2-4,8-9H2,1H3
InChIKeyCIQIWZGWIBVUEY-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol 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

1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
CID 165416562
N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461140
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117392899
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 62378836
(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 63365892
1-(4-bromo-2-propan-2-ylphenoxy)-3-(methylamino)propan-2-ol
CID 115401723

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol (CID 117499840) is 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol is CNCC(O)c1cc(Br)ccc1OCC1CCC1.
What is the InChIKey of 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol?
The InChIKey is CIQIWZGWIBVUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16-8-13(17)12-7-11(15)5-6-14(12)18-9-10-3-2-4-10/h5-7,10,13,16-17H,2-4,8-9H2,1H3.
What are the key properties of 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol?
1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117499840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).