N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine

C12H20FN — CID 145352636

IUPACN-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
SMILESCCC(C1=CC(F)=CCC1)N(C)CC
InChIInChI=1S/C12H20FN/c1-4-12(14(3)5-2)10-7-6-8-11(13)9-10/h8-9,12H,4-7H2,1-3H3
InChIKeyLZSDGADQPCOELO-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.29
Rot. Bonds4

About N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine

N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine (PubChem CID 145352636) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
PubChem CID145352636
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC NameN-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
SMILESCCC(C1=CC(F)=CCC1)N(C)CC
InChIInChI=1S/C12H20FN/c1-4-12(14(3)5-2)10-7-6-8-11(13)9-10/h8-9,12H,4-7H2,1-3H3
InChIKeyLZSDGADQPCOELO-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine (CID 145352636) is N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine is CCC(C1=CC(F)=CCC1)N(C)CC.
What is the InChIKey of N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
The InChIKey is LZSDGADQPCOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-12(14(3)5-2)10-7-6-8-11(13)9-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine?
N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 145352636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).