1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea

C15H16FN3O — CID 62951380

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
SMILESNCc1ccccc1CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H16FN3O/c16-13-6-3-7-14(8-13)19-15(20)18-10-12-5-2-1-4-11(12)9-17/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyKPYJEOLZTVMSMF-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.61
Rot. Bonds4

About 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea

1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea (PubChem CID 62951380) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
PubChem CID62951380
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
SMILESNCc1ccccc1CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H16FN3O/c16-13-6-3-7-14(8-13)19-15(20)18-10-12-5-2-1-4-11(12)9-17/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyKPYJEOLZTVMSMF-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
CID 63359762
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945493
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683138
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea (CID 62951380) is 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea is NCc1ccccc1CNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
The InChIKey is KPYJEOLZTVMSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-6-3-7-14(8-13)19-15(20)18-10-12-5-2-1-4-11(12)9-17/h1-8H,9-10,17H2,(H2,18,19,20).
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea has a molecular weight of 273.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 62951380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).