1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine

C12H19FN2O — CID 116948678

IUPAC1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1ccc(OC)c(F)c1)C(C)CN
InChIInChI=1S/C12H19FN2O/c1-8(7-14)12(15-2)9-4-5-11(16-3)10(13)6-9/h4-6,8,12,15H,7,14H2,1-3H3
InChIKeyWUBDKCSIBSTJJM-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.69
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine

1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine (PubChem CID 116948678) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
PubChem CID116948678
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1ccc(OC)c(F)c1)C(C)CN
InChIInChI=1S/C12H19FN2O/c1-8(7-14)12(15-2)9-4-5-11(16-3)10(13)6-9/h4-6,8,12,15H,7,14H2,1-3H3
InChIKeyWUBDKCSIBSTJJM-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
2-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960662
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
2-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960518
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949581

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine (CID 116948678) is 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine is CNC(c1ccc(OC)c(F)c1)C(C)CN.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine?
The InChIKey is WUBDKCSIBSTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8(7-14)12(15-2)9-4-5-11(16-3)10(13)6-9/h4-6,8,12,15H,7,14H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine?
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine has a molecular weight of 226.29 g/mol, XLogP of 1.69, 5 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,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).