3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine

C15H21F2N — CID 81417778

IUPAC3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(F)cc(F)c2)C1CC
InChIInChI=1S/C15H21F2N/c1-3-5-18-15-9-14(13(15)4-2)10-6-11(16)8-12(17)7-10/h6-8,13-15,18H,3-5,9H2,1-2H3
InChIKeyXDPKFXZCNGPGGY-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.85
Rot. Bonds5

About 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine

3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine (PubChem CID 81417778) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
PubChem CID81417778
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(F)cc(F)c2)C1CC
InChIInChI=1S/C15H21F2N/c1-3-5-18-15-9-14(13(15)4-2)10-6-11(16)8-12(17)7-10/h6-8,13-15,18H,3-5,9H2,1-2H3
InChIKeyXDPKFXZCNGPGGY-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine
CID 81418199
3-(3,5-difluorophenyl)-2-ethylcyclobutan-1-ol
CID 81415473
3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
CID 82972681
N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416943
2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine
CID 81417135
3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine
CID 107355524
2-ethyl-N-propyl-3-pyridin-2-ylcyclobutan-1-amine
CID 81417467
2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
CID 81417156
N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
CID 114068499
N-[[2-(3,5-difluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031514
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943656

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine (CID 81417778) is 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2cc(F)cc(F)c2)C1CC.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
The InChIKey is XDPKFXZCNGPGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-5-18-15-9-14(13(15)4-2)10-6-11(16)8-12(17)7-10/h6-8,13-15,18H,3-5,9H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine?
3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81417778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).