3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea

C10H14FN3O — CID 79154504

IUPAC3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C10H14FN3O/c1-14(2)10(15)13-8-3-4-9(11)7(5-8)6-12/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyDDHLQQKUAUJBQD-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.38
Rot. Bonds2

About 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea

3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea (PubChem CID 79154504) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
PubChem CID79154504
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C10H14FN3O/c1-14(2)10(15)13-8-3-4-9(11)7(5-8)6-12/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyDDHLQQKUAUJBQD-UHFFFAOYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
3-(aminomethyl)-4-fluoro-N-methylaniline
CID 82502624
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
CID 62317484
N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide
CID 113382054
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 62316950
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
CID 79159528
2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea (CID 79154504) is 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(F)c(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea?
The InChIKey is DDHLQQKUAUJBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-14(2)10(15)13-8-3-4-9(11)7(5-8)6-12/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea?
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea has a molecular weight of 211.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea is sourced from PubChem (CID 79154504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).