1-[3-(aminomethyl)phenyl]-1-fluorourea

C8H10FN3O — CID 174941242

IUPAC1-[3-(aminomethyl)phenyl]-1-fluorourea
SMILESNCc1cccc(N(F)C(N)=O)c1
InChIInChI=1S/C8H10FN3O/c9-12(8(11)13)7-3-1-2-6(4-7)5-10/h1-4H,5,10H2,(H2,11,13)
InChIKeyKEUAYRONLBBARX-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.91
Rot. Bonds2

About 1-[3-(aminomethyl)phenyl]-1-fluorourea

1-[3-(aminomethyl)phenyl]-1-fluorourea (PubChem CID 174941242) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-1-fluorourea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-1-fluorourea
PubChem CID174941242
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name1-[3-(aminomethyl)phenyl]-1-fluorourea
SMILESNCc1cccc(N(F)C(N)=O)c1
InChIInChI=1S/C8H10FN3O/c9-12(8(11)13)7-3-1-2-6(4-7)5-10/h1-4H,5,10H2,(H2,11,13)
InChIKeyKEUAYRONLBBARX-UHFFFAOYSA-N
XLogP0.91
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
[3-(aminomethyl)phenyl]-(trifluoromethyl)carbamic acid
CID 67958017
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea
CID 62970793
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
CID 114958620
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-1-fluorourea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-1-fluorourea (CID 174941242) is 1-[3-(aminomethyl)phenyl]-1-fluorourea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-1-fluorourea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-1-fluorourea is NCc1cccc(N(F)C(N)=O)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-1-fluorourea?
The InChIKey is KEUAYRONLBBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-12(8(11)13)7-3-1-2-6(4-7)5-10/h1-4H,5,10H2,(H2,11,13).
What are the key properties of 1-[3-(aminomethyl)phenyl]-1-fluorourea?
1-[3-(aminomethyl)phenyl]-1-fluorourea has a molecular weight of 183.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-1-fluorourea is sourced from PubChem (CID 174941242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).