1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine

C14H19F2N — CID 64999894

IUPAC1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine
SMILESCCC1CC(CNC)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-3-10-7-14(8-10,9-17-2)11-4-12(15)6-13(16)5-11/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyMIQLQEGDDHZWBY-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.24
Rot. Bonds4

About 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine

1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine (PubChem CID 64999894) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine
PubChem CID64999894
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine
SMILESCCC1CC(CNC)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-3-10-7-14(8-10,9-17-2)11-4-12(15)6-13(16)5-11/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyMIQLQEGDDHZWBY-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine (CID 64999894) is 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine is CCC1CC(CNC)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine?
The InChIKey is MIQLQEGDDHZWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-3-10-7-14(8-10,9-17-2)11-4-12(15)6-13(16)5-11/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine?
1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 64999894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).