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

C11H17FN2O — CID 116909206

IUPAC1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1ccc(OC)c(F)c1)N(C)C
InChIInChI=1S/C11H17FN2O/c1-13-11(14(2)3)8-5-6-10(15-4)9(12)7-8/h5-7,11,13H,1-4H3
InChIKeyUZACBJMRDZCDAE-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.61
Rot. Bonds4

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

1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine (PubChem CID 116909206) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
PubChem CID116909206
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
SMILESCNC(c1ccc(OC)c(F)c1)N(C)C
InChIInChI=1S/C11H17FN2O/c1-13-11(14(2)3)8-5-6-10(15-4)9(12)7-8/h5-7,11,13H,1-4H3
InChIKeyUZACBJMRDZCDAE-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
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,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905861
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine (CID 116909206) is 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine is CNC(c1ccc(OC)c(F)c1)N(C)C.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
The InChIKey is UZACBJMRDZCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-13-11(14(2)3)8-5-6-10(15-4)9(12)7-8/h5-7,11,13H,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine?
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine has a molecular weight of 212.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine is sourced from PubChem (CID 116909206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).