1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea

C10H14FN3O — CID 82508247

IUPAC1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(F)ccc1CN
InChIInChI=1S/C10H14FN3O/c1-2-13-10(15)14-9-5-8(11)4-3-7(9)6-12/h3-5H,2,6,12H2,1H3,(H2,13,14,15)
InChIKeySUMIFCPOLMGZOT-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.43
Rot. Bonds3

About 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea

1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea (PubChem CID 82508247) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea
PubChem CID82508247
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(F)ccc1CN
InChIInChI=1S/C10H14FN3O/c1-2-13-10(15)14-9-5-8(11)4-3-7(9)6-12/h3-5H,2,6,12H2,1H3,(H2,13,14,15)
InChIKeySUMIFCPOLMGZOT-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate
CID 91559008
1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea
CID 82685806
1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea
CID 82507372
2-[[2-(aminomethyl)-4-fluorophenyl]methylsulfinyl]-N-ethylacetamide
CID 114233383
1-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 61317348
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride
CID 118377100
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
(2-ethyl-5-fluorophenyl)hydrazine
CID 130780548
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea?
The IUPAC name of 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea (CID 82508247) is 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea?
The canonical SMILES for 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea is CCNC(=O)Nc1cc(F)ccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea?
The InChIKey is SUMIFCPOLMGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-2-13-10(15)14-9-5-8(11)4-3-7(9)6-12/h3-5H,2,6,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea?
1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea has a molecular weight of 211.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea is sourced from PubChem (CID 82508247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).