3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine

C15H21BrFNO — CID 66356948

IUPAC3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFNO/c1-4-15(5-2)13(18-3)9-14(15)19-12-7-6-10(17)8-11(12)16/h6-8,13-14,18H,4-5,9H2,1-3H3
InChIKeyDQSPHOJYDBKZQA-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.13
Rot. Bonds5

About 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine

3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine (PubChem CID 66356948) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
PubChem CID66356948
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFNO/c1-4-15(5-2)13(18-3)9-14(15)19-12-7-6-10(17)8-11(12)16/h6-8,13-14,18H,4-5,9H2,1-3H3
InChIKeyDQSPHOJYDBKZQA-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-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-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
3-(4-bromo-2,5-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 107662304
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577
3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356998
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
CID 66356750
3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352255
N,2,2-triethyl-3-(4-fluorophenoxy)cyclobutan-1-amine
CID 66358535
2,2-diethyl-N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]cyclobutan-1-amine
CID 66352883
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-fluoro-2-nitrobenzene
CID 66343915
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
CID 82825839
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357504
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine (CID 66356948) is 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine is CCC1(CC)C(NC)CC1Oc1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
The InChIKey is DQSPHOJYDBKZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-4-15(5-2)13(18-3)9-14(15)19-12-7-6-10(17)8-11(12)16/h6-8,13-14,18H,4-5,9H2,1-3H3.
What are the key properties of 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine has a molecular weight of 330.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66356948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).