3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine

C14H20BrNO2 — CID 104676666

IUPAC3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1OCc1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-17-14-12(16-2)8-13(14)18-9-10-6-4-5-7-11(10)15/h4-7,12-14,16H,3,8-9H2,1-2H3
InChIKeyNRMMZBIFXHJZEW-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.73
Rot. Bonds6

About 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine

3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine (PubChem CID 104676666) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine
PubChem CID104676666
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1OCc1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-17-14-12(16-2)8-13(14)18-9-10-6-4-5-7-11(10)15/h4-7,12-14,16H,3,8-9H2,1-2H3
InChIKeyNRMMZBIFXHJZEW-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
CID 104673747
3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676021
2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104676522
2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
CID 104676124
1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675600
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
CID 104676380
1-bromo-4-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675895
2-[(2-bromophenyl)methoxy]cycloheptan-1-amine
CID 82831822
2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 55186350

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine (CID 104676666) is 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1OCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine?
The InChIKey is NRMMZBIFXHJZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-17-14-12(16-2)8-13(14)18-9-10-6-4-5-7-11(10)15/h4-7,12-14,16H,3,8-9H2,1-2H3.
What are the key properties of 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine?
3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104676666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).