6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine

C10H16F2N2O — CID 134333967

IUPAC6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC(CNCC(F)F)C(N)C=C1
InChIInChI=1S/C10H16F2N2O/c1-15-8-2-3-9(13)7(4-8)5-14-6-10(11)12/h2-4,7,9-10,14H,5-6,13H2,1H3
InChIKeyHUWMJAXYFPHVSG-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.88
Rot. Bonds5

About 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine

6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 134333967) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine
PubChem CID134333967
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC(CNCC(F)F)C(N)C=C1
InChIInChI=1S/C10H16F2N2O/c1-15-8-2-3-9(13)7(4-8)5-14-6-10(11)12/h2-4,7,9-10,14H,5-6,13H2,1H3
InChIKeyHUWMJAXYFPHVSG-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-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

N-[[5-methoxy-2-methyl-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]propan-1-amine
CID 134316041
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
(1R)-1-[5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N-methylprop-2-en-1-amine
CID 163508501
Carbanide;5-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]-1,2,3,6-tetrahydropyridine;yttrium
CID 166108129
N-[(1R)-1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropan-1-amine
CID 169112958
2-Propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine
CID 169163178
5-(Difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine
CID 171833064
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
N-methyl-6-methylidene-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 162592896
4-(difluoromethoxy)-1-N-ethyl-1-N-[3-(methylamino)propyl]cyclohexa-3,5-diene-1,3-diamine
CID 178843550
N-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926730
N-(cyclopropylmethyl)-1-[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]prop-2-en-1-amine
CID 89290284

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine (CID 134333967) is 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine is COC1=CC(CNCC(F)F)C(N)C=C1.
What is the InChIKey of 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is HUWMJAXYFPHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-15-8-2-3-9(13)7(4-8)5-14-6-10(11)12/h2-4,7,9-10,14H,5-6,13H2,1H3.
What are the key properties of 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine?
6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 218.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134333967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).