6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine

C15H18FNO — CID 174743511

IUPAC6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine
SMILESCCCOC1(F)CC(c2ccccc2)=CC=C1N
InChIInChI=1S/C15H18FNO/c1-2-10-18-15(16)11-13(8-9-14(15)17)12-6-4-3-5-7-12/h3-9H,2,10-11,17H2,1H3
InChIKeyPAZRRMLSQUCLSP-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.41
Rot. Bonds4

About 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine

6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine (PubChem CID 174743511) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine
PubChem CID174743511
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine
SMILESCCCOC1(F)CC(c2ccccc2)=CC=C1N
InChIInChI=1S/C15H18FNO/c1-2-10-18-15(16)11-13(8-9-14(15)17)12-6-4-3-5-7-12/h3-9H,2,10-11,17H2,1H3
InChIKeyPAZRRMLSQUCLSP-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-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-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine (CID 174743511) is 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine is CCCOC1(F)CC(c2ccccc2)=CC=C1N.
What is the InChIKey of 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine?
The InChIKey is PAZRRMLSQUCLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-10-18-15(16)11-13(8-9-14(15)17)12-6-4-3-5-7-12/h3-9H,2,10-11,17H2,1H3.
What are the key properties of 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine?
6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine has a molecular weight of 247.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 174743511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).