1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C13H19F2N3O — CID 66055798

IUPAC1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1c(N)ccc(F)c1F
InChIInChI=1S/C13H19F2N3O/c1-17(2)6-8-5-9(19)7-18(8)13-11(16)4-3-10(14)12(13)15/h3-4,8-9,19H,5-7,16H2,1-2H3
InChIKeyZIJVTBQYMFAPIY-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.05
Rot. Bonds3

About 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66055798) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66055798
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1c(N)ccc(F)c1F
InChIInChI=1S/C13H19F2N3O/c1-17(2)6-8-5-9(19)7-18(8)13-11(16)4-3-10(14)12(13)15/h3-4,8-9,19H,5-7,16H2,1-2H3
InChIKeyZIJVTBQYMFAPIY-UHFFFAOYSA-N
XLogP1.05
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,6-diamino-3-chloro-2-fluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 103553250
1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 103518270
5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 66052213
1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051832
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 66056615
1-(5-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055391
1-(2,6-dichloro-4-nitrophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 106891941
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77111637
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82930921
4-chloro-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77111677
methyl 3-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]benzoate
CID 66053727

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66055798) is 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1c(N)ccc(F)c1F.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is ZIJVTBQYMFAPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-17(2)6-8-5-9(19)7-18(8)13-11(16)4-3-10(14)12(13)15/h3-4,8-9,19H,5-7,16H2,1-2H3.
What are the key properties of 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 271.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).