1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine

C10H15F2NO — CID 162594791

IUPAC1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=CC=C(OC(F)F)C(C)C1
InChIInChI=1S/C10H15F2NO/c1-7-5-8(6-13-2)3-4-9(7)14-10(11)12/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyFFXOVMYUKOXYIO-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.30
Rot. Bonds4

About 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine

1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine (PubChem CID 162594791) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine
PubChem CID162594791
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=CC=C(OC(F)F)C(C)C1
InChIInChI=1S/C10H15F2NO/c1-7-5-8(6-13-2)3-4-9(7)14-10(11)12/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyFFXOVMYUKOXYIO-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine 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 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine (CID 162594791) is 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine is CNCC1=CC=C(OC(F)F)C(C)C1.
What is the InChIKey of 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The InChIKey is FFXOVMYUKOXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-7-5-8(6-13-2)3-4-9(7)14-10(11)12/h3-4,7,10,13H,5-6H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine has a molecular weight of 203.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine is sourced from PubChem (CID 162594791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).