1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea

C12H19N3O2 — CID 61340896

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C12H19N3O2/c1-9(13)10-4-3-5-11(8-10)15-12(16)14-6-7-17-2/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyLBNLHPQOEHUURA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds5

About 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea (PubChem CID 61340896) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
PubChem CID61340896
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C12H19N3O2/c1-9(13)10-4-3-5-11(8-10)15-12(16)14-6-7-17-2/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyLBNLHPQOEHUURA-UHFFFAOYSA-N
XLogP1.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.47
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

methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
1-[3-(1-aminoethyl)phenyl]-3-(2,3,3-trimethylbutyl)urea
CID 83147014
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106407545
2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide
CID 106240894

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea (CID 61340896) is 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea?
The InChIKey is LBNLHPQOEHUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(13)10-4-3-5-11(8-10)15-12(16)14-6-7-17-2/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 61340896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).