6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine

C12H20FNO — CID 163594706

IUPAC6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CCCC=C1OCCC[C@@H](C)F
InChIInChI=1S/C12H20FNO/c1-10(13)6-5-9-15-12-8-4-3-7-11(12)14-2/h7-8,10,14H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyGSKZHRTZWZGXKE-SNVBAGLBSA-N
MW213.30 g/mol
LogP2.92
Rot. Bonds6

About 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine

6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 163594706) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID163594706
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CCCC=C1OCCC[C@@H](C)F
InChIInChI=1S/C12H20FNO/c1-10(13)6-5-9-15-12-8-4-3-7-11(12)14-2/h7-8,10,14H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyGSKZHRTZWZGXKE-SNVBAGLBSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-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 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine (CID 163594706) is 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine is CNC1=CCCC=C1OCCC[C@@H](C)F.
What is the InChIKey of 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is GSKZHRTZWZGXKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20FNO/c1-10(13)6-5-9-15-12-8-4-3-7-11(12)14-2/h7-8,10,14H,3-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine?
6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 213.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163594706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).