N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine

C15H24FNO — CID 143112779

IUPACN-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine
SMILESCCN(C)CCC1(C)OCC2=C1CC(F)CC=C2
InChIInChI=1S/C15H24FNO/c1-4-17(3)9-8-15(2)14-10-13(16)7-5-6-12(14)11-18-15/h5-6,13H,4,7-11H2,1-3H3
InChIKeyCVJUJWWYZUZADC-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.10
Rot. Bonds4

About N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine

N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine (PubChem CID 143112779) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine
PubChem CID143112779
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine
SMILESCCN(C)CCC1(C)OCC2=C1CC(F)CC=C2
InChIInChI=1S/C15H24FNO/c1-4-17(3)9-8-15(2)14-10-13(16)7-5-6-12(14)11-18-15/h5-6,13H,4,7-11H2,1-3H3
InChIKeyCVJUJWWYZUZADC-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine (CID 143112779) is N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine is CCN(C)CCC1(C)OCC2=C1CC(F)CC=C2.
What is the InChIKey of N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine?
The InChIKey is CVJUJWWYZUZADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-17(3)9-8-15(2)14-10-13(16)7-5-6-12(14)11-18-15/h5-6,13H,4,7-11H2,1-3H3.
What are the key properties of N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine?
N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine has a molecular weight of 253.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 143112779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).