1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea

C12H17N3O — CID 62699291

IUPAC1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
SMILESCC(NC(=O)NC1CC1)c1ccccc1N
InChIInChI=1S/C12H17N3O/c1-8(10-4-2-3-5-11(10)13)14-12(16)15-9-6-7-9/h2-5,8-9H,6-7,13H2,1H3,(H2,14,15,16)
InChIKeyXRKNRJKQNKEZLU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea

1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea (PubChem CID 62699291) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
PubChem CID62699291
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
SMILESCC(NC(=O)NC1CC1)c1ccccc1N
InChIInChI=1S/C12H17N3O/c1-8(10-4-2-3-5-11(10)13)14-12(16)15-9-6-7-9/h2-5,8-9H,6-7,13H2,1H3,(H2,14,15,16)
InChIKeyXRKNRJKQNKEZLU-UHFFFAOYSA-N
XLogP1.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 71920819
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea?
The IUPAC name of 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea (CID 62699291) is 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea?
The canonical SMILES for 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea is CC(NC(=O)NC1CC1)c1ccccc1N.
What is the InChIKey of 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea?
The InChIKey is XRKNRJKQNKEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(10-4-2-3-5-11(10)13)14-12(16)15-9-6-7-9/h2-5,8-9H,6-7,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea?
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea has a molecular weight of 219.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea is sourced from PubChem (CID 62699291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).