N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine

C13H20FN — CID 142869610

IUPACN-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine
SMILESCCC(C1=CC=C(F)C=CC1)N(C)CC
InChIInChI=1S/C13H20FN/c1-4-13(15(3)5-2)11-7-6-8-12(14)10-9-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyAMJQICJWPIIOKA-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine

N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine (PubChem CID 142869610) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine
PubChem CID142869610
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine
SMILESCCC(C1=CC=C(F)C=CC1)N(C)CC
InChIInChI=1S/C13H20FN/c1-4-13(15(3)5-2)11-7-6-8-12(14)10-9-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyAMJQICJWPIIOKA-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine (CID 142869610) is N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine is CCC(C1=CC=C(F)C=CC1)N(C)CC.
What is the InChIKey of N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine?
The InChIKey is AMJQICJWPIIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-13(15(3)5-2)11-7-6-8-12(14)10-9-11/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine?
N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 142869610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).