1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea

C13H20FN3O2 — CID 111412022

IUPAC1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
SMILESCN(C)Cc1cc(CNC(=O)NCCO)ccc1F
InChIInChI=1S/C13H20FN3O2/c1-17(2)9-11-7-10(3-4-12(11)14)8-16-13(19)15-5-6-18/h3-4,7,18H,5-6,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyZVTSZPUFZLHRIZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.68
Rot. Bonds6

About 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea

1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea (PubChem CID 111412022) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
PubChem CID111412022
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
SMILESCN(C)Cc1cc(CNC(=O)NCCO)ccc1F
InChIInChI=1S/C13H20FN3O2/c1-17(2)9-11-7-10(3-4-12(11)14)8-16-13(19)15-5-6-18/h3-4,7,18H,5-6,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyZVTSZPUFZLHRIZ-UHFFFAOYSA-N
XLogP0.68
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea
CID 111414486
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
2-(4-aminophenyl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 119886328
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-[2-(dimethylamino)pyrimidin-5-yl]urea
CID 84589471
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
CID 119886373
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111538780
(3S,4S)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120941768
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886335
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119886342
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
3-[3-[(dimethylamino)methyl]-4-fluorophenyl]propanoic acid
CID 71215134
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea (CID 111412022) is 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea is CN(C)Cc1cc(CNC(=O)NCCO)ccc1F.
What is the InChIKey of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is ZVTSZPUFZLHRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-17(2)9-11-7-10(3-4-12(11)14)8-16-13(19)15-5-6-18/h3-4,7,18H,5-6,8-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea?
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 269.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111412022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).