N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine

C14H24FN — CID 174334147

IUPACN-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCCN(CCC1=CCCC=C1F)C(C)(C)C
InChIInChI=1S/C14H24FN/c1-5-16(14(2,3)4)11-10-12-8-6-7-9-13(12)15/h8-9H,5-7,10-11H2,1-4H3
InChIKeyKPTSJLNDDFNGEG-UHFFFAOYSA-N
MW225.35 g/mol
LogP4.07
Rot. Bonds4

About N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine

N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 174334147) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
PubChem CID174334147
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC NameN-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCCN(CCC1=CCCC=C1F)C(C)(C)C
InChIInChI=1S/C14H24FN/c1-5-16(14(2,3)4)11-10-12-8-6-7-9-13(12)15/h8-9H,5-7,10-11H2,1-4H3
InChIKeyKPTSJLNDDFNGEG-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine (CID 174334147) is N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine is CCN(CCC1=CCCC=C1F)C(C)(C)C.
What is the InChIKey of N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is KPTSJLNDDFNGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-5-16(14(2,3)4)11-10-12-8-6-7-9-13(12)15/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 225.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 174334147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).