1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C14H20F2N2O — CID 82930921

IUPAC1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-17(2)8-11-6-12(19)9-18(11)7-10-3-4-13(15)14(16)5-10/h3-5,11-12,19H,6-9H2,1-2H3
InChIKeyCIXAZTGGRHSGFY-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.46
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 82930921) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID82930921
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-17(2)8-11-6-12(19)9-18(11)7-10-3-4-13(15)14(16)5-10/h3-5,11-12,19H,6-9H2,1-2H3
InChIKeyCIXAZTGGRHSGFY-UHFFFAOYSA-N
XLogP1.46
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 82930921) is 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is CIXAZTGGRHSGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-17(2)8-11-6-12(19)9-18(11)7-10-3-4-13(15)14(16)5-10/h3-5,11-12,19H,6-9H2,1-2H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 270.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 82930921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).