2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine

C14H24FNO — CID 154939638

IUPAC2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine
SMILESCCCC(CNCC1=C(F)CCC=C1)OCC
InChIInChI=1S/C14H24FNO/c1-3-7-13(17-4-2)11-16-10-12-8-5-6-9-14(12)15/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3
InChIKeyNPIGIRAJPQTEMN-UHFFFAOYSA-N
MW241.35 g/mol
LogP3.35
Rot. Bonds8

About 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine

2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine (PubChem CID 154939638) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine
PubChem CID154939638
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine
SMILESCCCC(CNCC1=C(F)CCC=C1)OCC
InChIInChI=1S/C14H24FNO/c1-3-7-13(17-4-2)11-16-10-12-8-5-6-9-14(12)15/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3
InChIKeyNPIGIRAJPQTEMN-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine?
The IUPAC name of 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine (CID 154939638) is 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine is CCCC(CNCC1=C(F)CCC=C1)OCC.
What is the InChIKey of 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine?
The InChIKey is NPIGIRAJPQTEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c1-3-7-13(17-4-2)11-16-10-12-8-5-6-9-14(12)15/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine?
2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine has a molecular weight of 241.35 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pentan-1-amine is sourced from PubChem (CID 154939638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).