4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine

C8H12FN — CID 89357788

IUPAC4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(F)CC1C
InChIInChI=1S/C8H12FN/c1-6-5-7(9)3-4-8(6)10-2/h3-4,6,10H,5H2,1-2H3
InChIKeyYCPUDKPHSZRYDE-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.98
Rot. Bonds1

About 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine

4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 89357788) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID89357788
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(F)CC1C
InChIInChI=1S/C8H12FN/c1-6-5-7(9)3-4-8(6)10-2/h3-4,6,10H,5H2,1-2H3
InChIKeyYCPUDKPHSZRYDE-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-N,6-dimethylcyclohexa-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

Related Compounds

(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
CID 67991642
N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
5-ethyl-5-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 70492008
CID 89045004
CID 89045004
4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine
CID 89191347
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 89209299
N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 118618028
6-Methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
CID 126694523
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine
CID 134365754
1-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 138478275

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine (CID 89357788) is 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine is CNC1=CC=C(F)CC1C.
What is the InChIKey of 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is YCPUDKPHSZRYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-5-7(9)3-4-8(6)10-2/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine?
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89357788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).