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

Analyze 3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-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

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).