5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol

C14H21FN2O — CID 66051669

IUPAC5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-16(2)9-12-7-13(18)10-17(12)8-11-5-3-4-6-14(11)15/h3-6,12-13,18H,7-10H2,1-2H3
InChIKeyGXJIFBAFEQWTKN-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.32
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 66051669) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID66051669
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-16(2)9-12-7-13(18)10-17(12)8-11-5-3-4-6-14(11)15/h3-6,12-13,18H,7-10H2,1-2H3
InChIKeyGXJIFBAFEQWTKN-UHFFFAOYSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115462954
1-[(5-bromo-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051648
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 66051302
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82930921
1-(1-benzothiophen-3-ylmethyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053015
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-5-fluorobenzenecarbothioamide
CID 66054817
2-[4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346086
1-[(3-amino-5-fluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 112646208
(3S,7R,8aR)-2-[(2-fluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95856971
5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol
CID 77111542
3-chloro-4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 102669705

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol (CID 66051669) is 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1ccccc1F.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is GXJIFBAFEQWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16(2)9-12-7-13(18)10-17(12)8-11-5-3-4-6-14(11)15/h3-6,12-13,18H,7-10H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 252.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).