1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine

C9H13FN2O — CID 116939273

IUPAC1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
SMILESCNC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C9H13FN2O/c1-12-9(11)6-3-4-8(13-2)7(10)5-6/h3-5,9,12H,11H2,1-2H3
InChIKeyGGGJYYJXJKBNFK-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine

1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine (PubChem CID 116939273) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
PubChem CID116939273
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
SMILESCNC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C9H13FN2O/c1-12-9(11)6-3-4-8(13-2)7(10)5-6/h3-5,9,12H,11H2,1-2H3
InChIKeyGGGJYYJXJKBNFK-UHFFFAOYSA-N
XLogP1.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.01
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

(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
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
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
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'-methylmethanediamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine (CID 116939273) is 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine is CNC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine?
The InChIKey is GGGJYYJXJKBNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-12-9(11)6-3-4-8(13-2)7(10)5-6/h3-5,9,12H,11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine?
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine has a molecular weight of 184.21 g/mol, XLogP of 1.01, 3 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'-methylmethanediamine is sourced from PubChem (CID 116939273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).