6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine

C17H21F2N3O — CID 176515336

IUPAC6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cc(CCN(C)C)cc(F)c2F)c1
InChIInChI=1S/C17H21F2N3O/c1-11-6-13(21-16(20)7-11)10-23-15-9-12(4-5-22(2)3)8-14(18)17(15)19/h6-9H,4-5,10H2,1-3H3,(H2,20,21)
InChIKeyQWNQCAZGJZKYRU-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.93
Rot. Bonds6

About 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine

6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine (PubChem CID 176515336) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine
PubChem CID176515336
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC Name6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cc(CCN(C)C)cc(F)c2F)c1
InChIInChI=1S/C17H21F2N3O/c1-11-6-13(21-16(20)7-11)10-23-15-9-12(4-5-22(2)3)8-14(18)17(15)19/h6-9H,4-5,10H2,1-3H3,(H2,20,21)
InChIKeyQWNQCAZGJZKYRU-UHFFFAOYSA-N
XLogP2.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine (CID 176515336) is 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(COc2cc(CCN(C)C)cc(F)c2F)c1.
What is the InChIKey of 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine?
The InChIKey is QWNQCAZGJZKYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-11-6-13(21-16(20)7-11)10-23-15-9-12(4-5-22(2)3)8-14(18)17(15)19/h6-9H,4-5,10H2,1-3H3,(H2,20,21).
What are the key properties of 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine?
6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine has a molecular weight of 321.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 176515336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).