1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine

C9H11F2NO — CID 130725547

IUPAC1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-12(13-2)6-7-3-8(10)5-9(11)4-7/h3-5H,6H2,1-2H3
InChIKeyVKESMSPDNOYSEK-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.96
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine

1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine (PubChem CID 130725547) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine
PubChem CID130725547
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-12(13-2)6-7-3-8(10)5-9(11)4-7/h3-5H,6H2,1-2H3
InChIKeyVKESMSPDNOYSEK-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
1-chloro-N-[(3,5-difluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 105409089
3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile
CID 115879627
3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide
CID 23589518
N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 16676739
3-N-[(3,5-difluorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 105402870
1-(3-fluoro-5-methoxyphenyl)-N,N-bis(iodomethyl)methanamine
CID 170080939
N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine
CID 130637213
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine (CID 130725547) is 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine is CON(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine?
The InChIKey is VKESMSPDNOYSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-12(13-2)6-7-3-8(10)5-9(11)4-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine?
1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine is sourced from PubChem (CID 130725547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).