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

C15H24FN3O2 — CID 111414486

IUPAC1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCc1ccc(F)c(CN(C)C)c1
InChIInChI=1S/C15H24FN3O2/c1-11(20)6-7-17-15(21)18-9-12-4-5-14(16)13(8-12)10-19(2)3/h4-5,8,11,20H,6-7,9-10H2,1-3H3,(H2,17,18,21)
InChIKeyHZRHNTYTGNFCKJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.46
Rot. Bonds7

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

1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea (PubChem CID 111414486) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea
PubChem CID111414486
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCc1ccc(F)c(CN(C)C)c1
InChIInChI=1S/C15H24FN3O2/c1-11(20)6-7-17-15(21)18-9-12-4-5-14(16)13(8-12)10-19(2)3/h4-5,8,11,20H,6-7,9-10H2,1-3H3,(H2,17,18,21)
InChIKeyHZRHNTYTGNFCKJ-UHFFFAOYSA-N
XLogP1.46
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
CID 111412022
2-(4-aminophenyl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 119886328
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
CID 119886373
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111538780
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
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]-2-methyl-3-phenylpropanamide
CID 119886342
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
1-[2-(4-chlorophenyl)ethyl]-3-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylguanidine;hydroiodide
CID 111828536
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]urea
CID 86960180

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea (CID 111414486) is 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NCc1ccc(F)c(CN(C)C)c1.
What is the InChIKey of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea?
The InChIKey is HZRHNTYTGNFCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-11(20)6-7-17-15(21)18-9-12-4-5-14(16)13(8-12)10-19(2)3/h4-5,8,11,20H,6-7,9-10H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea?
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea has a molecular weight of 297.37 g/mol, XLogP of 1.46, 7 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-(3-hydroxybutyl)urea is sourced from PubChem (CID 111414486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).