3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine

C15H21BrFN — CID 82972681

IUPAC3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(Br)ccc2F)C1CC
InChIInChI=1S/C15H21BrFN/c1-3-7-18-15-9-12(11(15)4-2)13-8-10(16)5-6-14(13)17/h5-6,8,11-12,15,18H,3-4,7,9H2,1-2H3
InChIKeyRCKYXRYHOWIRQD-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.47
Rot. Bonds5

About 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine

3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine (PubChem CID 82972681) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
PubChem CID82972681
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(Br)ccc2F)C1CC
InChIInChI=1S/C15H21BrFN/c1-3-7-18-15-9-12(11(15)4-2)13-8-10(16)5-6-14(13)17/h5-6,8,11-12,15,18H,3-4,7,9H2,1-2H3
InChIKeyRCKYXRYHOWIRQD-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
CID 81417778
3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine
CID 107355524
2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine
CID 81418199
3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
CID 114068499
3-(5-bromo-2-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943889
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
CID 81417156
2-ethyl-N-propyl-3-pyridin-2-ylcyclobutan-1-amine
CID 81417467
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 82973433

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine (CID 82972681) is 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2cc(Br)ccc2F)C1CC.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
The InChIKey is RCKYXRYHOWIRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-3-7-18-15-9-12(11(15)4-2)13-8-10(16)5-6-14(13)17/h5-6,8,11-12,15,18H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 82972681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).