(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C14H17F2N3 — CID 97211639

IUPAC(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESC[C@H](c1c(F)cccc1F)N(C)Cc1nccn1C
InChIInChI=1S/C14H17F2N3/c1-10(14-11(15)5-4-6-12(14)16)19(3)9-13-17-7-8-18(13)2/h4-8,10H,9H2,1-3H3/t10-/m1/s1
InChIKeyIBGBUBXVVGEWHL-SNVBAGLBSA-N
MW265.31 g/mol
LogP2.89
Rot. Bonds4

About (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 97211639) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID97211639
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESC[C@H](c1c(F)cccc1F)N(C)Cc1nccn1C
InChIInChI=1S/C14H17F2N3/c1-10(14-11(15)5-4-6-12(14)16)19(3)9-13-17-7-8-18(13)2/h4-8,10H,9H2,1-3H3/t10-/m1/s1
InChIKeyIBGBUBXVVGEWHL-SNVBAGLBSA-N
XLogP2.89
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
2-(chloromethyl)-6-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 114067825
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727
2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664874
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole
CID 70942543
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarbothioamide
CID 79519844
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118
(2S)-2-(3-acetyl-2-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetic acid
CID 97202880

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 97211639) is (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is C[C@H](c1c(F)cccc1F)N(C)Cc1nccn1C.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is IBGBUBXVVGEWHL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-10(14-11(15)5-4-6-12(14)16)19(3)9-13-17-7-8-18(13)2/h4-8,10H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 97211639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).