3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

C15H21BrFNO — CID 66358022

IUPAC3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)cc2F)C1(C)C
InChIInChI=1S/C15H21BrFNO/c1-4-7-18-13-9-14(15(13,2)3)19-12-6-5-10(16)8-11(12)17/h5-6,8,13-14,18H,4,7,9H2,1-3H3
InChIKeySFXUQFKEKNPOSB-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.13
Rot. Bonds5

About 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 66358022) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID66358022
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)cc2F)C1(C)C
InChIInChI=1S/C15H21BrFNO/c1-4-7-18-13-9-14(15(13,2)3)19-12-6-5-10(16)8-11(12)17/h5-6,8,13-14,18H,4,7,9H2,1-3H3
InChIKeySFXUQFKEKNPOSB-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

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Related Compounds

3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-(4-bromo-2-fluorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66367646
3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352255
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66352890
3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66352422
3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358217
2,2-dimethyl-N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046085

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 66358022) is 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(Br)cc2F)C1(C)C.
What is the InChIKey of 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is SFXUQFKEKNPOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-4-7-18-13-9-14(15(13,2)3)19-12-6-5-10(16)8-11(12)17/h5-6,8,13-14,18H,4,7,9H2,1-3H3.
What are the key properties of 3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-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-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66358022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).