1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine

C10H15FN2O — CID 116954300

IUPAC1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H15FN2O/c1-12-10(13-2)7-4-5-9(14-3)8(11)6-7/h4-6,10,12-13H,1-3H3
InChIKeyVMFXRBQZJWHXOV-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.27
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine

1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine (PubChem CID 116954300) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
PubChem CID116954300
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H15FN2O/c1-12-10(13-2)7-4-5-9(14-3)8(11)6-7/h4-6,10,12-13H,1-3H3
InChIKeyVMFXRBQZJWHXOV-UHFFFAOYSA-N
XLogP1.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine (CID 116954300) is 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine is CNC(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is VMFXRBQZJWHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-12-10(13-2)7-4-5-9(14-3)8(11)6-7/h4-6,10,12-13H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine?
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 198.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 116954300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).