3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine

C15H24FN3 — CID 115127159

IUPAC3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine
SMILESCN1CCCC(CCN(C)c2cccc(F)c2N)C1
InChIInChI=1S/C15H24FN3/c1-18-9-4-5-12(11-18)8-10-19(2)14-7-3-6-13(16)15(14)17/h3,6-7,12H,4-5,8-11,17H2,1-2H3
InChIKeyUXEYSWSYEPVKDB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.58
Rot. Bonds4

About 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine

3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine (PubChem CID 115127159) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine
PubChem CID115127159
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine
SMILESCN1CCCC(CCN(C)c2cccc(F)c2N)C1
InChIInChI=1S/C15H24FN3/c1-18-9-4-5-12(11-18)8-10-19(2)14-7-3-6-13(16)15(14)17/h3,6-7,12H,4-5,8-11,17H2,1-2H3
InChIKeyUXEYSWSYEPVKDB-UHFFFAOYSA-N
XLogP2.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125891
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-nitroaniline
CID 55172215
3-fluoro-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849634
4-amino-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]benzonitrile
CID 115127345
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
2-fluoro-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 79519842
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255
2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
CID 105479556
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine (CID 115127159) is 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine is CN1CCCC(CCN(C)c2cccc(F)c2N)C1.
What is the InChIKey of 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine?
The InChIKey is UXEYSWSYEPVKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18-9-4-5-12(11-18)8-10-19(2)14-7-3-6-13(16)15(14)17/h3,6-7,12H,4-5,8-11,17H2,1-2H3.
What are the key properties of 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine?
3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine has a molecular weight of 265.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115127159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).