3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

C13H18BrNO2 — CID 104676021

IUPAC3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-3-16-13-11(15-2)8-12(13)17-10-6-4-5-9(14)7-10/h4-7,11-13,15H,3,8H2,1-2H3
InChIKeyCNMNMJDJRPYLBU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.59
Rot. Bonds5

About 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (PubChem CID 104676021) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
PubChem CID104676021
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-3-16-13-11(15-2)8-12(13)17-10-6-4-5-9(14)7-10/h4-7,11-13,15H,3,8H2,1-2H3
InChIKeyCNMNMJDJRPYLBU-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-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-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
CID 104676309
2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 104676220
3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676666
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
3-(3-bromophenoxy)-2-(2-methoxyethoxy)cyclobutan-1-amine
CID 114032265
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
CID 104676380
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (CID 104676021) is 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1Oc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The InChIKey is CNMNMJDJRPYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-16-13-11(15-2)8-12(13)17-10-6-4-5-9(14)7-10/h4-7,11-13,15H,3,8H2,1-2H3.
What are the key properties of 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine has a molecular weight of 300.20 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104676021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).