2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea

C11H16FN3O2 — CID 102876604

IUPAC2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
SMILESCOc1ccc(CNCCNC(N)=O)c(F)c1
InChIInChI=1S/C11H16FN3O2/c1-17-9-3-2-8(10(12)6-9)7-14-4-5-15-11(13)16/h2-3,6,14H,4-5,7H2,1H3,(H3,13,15,16)
InChIKeyGDMVZHOPINNIQM-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.59
Rot. Bonds6

About 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea

2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea (PubChem CID 102876604) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
PubChem CID102876604
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
SMILESCOc1ccc(CNCCNC(N)=O)c(F)c1
InChIInChI=1S/C11H16FN3O2/c1-17-9-3-2-8(10(12)6-9)7-14-4-5-15-11(13)16/h2-3,6,14H,4-5,7H2,1H3,(H3,13,15,16)
InChIKeyGDMVZHOPINNIQM-UHFFFAOYSA-N
XLogP0.59
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
(2,4-dimethoxyphenyl)methylurea
CID 53362457
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
2-[(2,5-difluorophenyl)methylamino]ethylurea
CID 83111439
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 102876689
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(5-bromo-2-methoxyphenyl)methylamino]ethylurea
CID 83111448

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea (CID 102876604) is 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea is COc1ccc(CNCCNC(N)=O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea?
The InChIKey is GDMVZHOPINNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-17-9-3-2-8(10(12)6-9)7-14-4-5-15-11(13)16/h2-3,6,14H,4-5,7H2,1H3,(H3,13,15,16).
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea?
2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea has a molecular weight of 241.27 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea is sourced from PubChem (CID 102876604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).