1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea

C13H19N3O — CID 62414254

IUPAC1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
SMILESCC(N)c1ccc(NC(=O)NC2CCC2)cc1
InChIInChI=1S/C13H19N3O/c1-9(14)10-5-7-12(8-6-10)16-13(17)15-11-3-2-4-11/h5-9,11H,2-4,14H2,1H3,(H2,15,16,17)
InChIKeyZTQZXZUFYVNCGI-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea

1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea (PubChem CID 62414254) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
PubChem CID62414254
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
SMILESCC(N)c1ccc(NC(=O)NC2CCC2)cc1
InChIInChI=1S/C13H19N3O/c1-9(14)10-5-7-12(8-6-10)16-13(17)15-11-3-2-4-11/h5-9,11H,2-4,14H2,1H3,(H2,15,16,17)
InChIKeyZTQZXZUFYVNCGI-UHFFFAOYSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357824
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea
CID 75428567
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
CID 61341143
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea (CID 62414254) is 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea is CC(N)c1ccc(NC(=O)NC2CCC2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea?
The InChIKey is ZTQZXZUFYVNCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(14)10-5-7-12(8-6-10)16-13(17)15-11-3-2-4-11/h5-9,11H,2-4,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea?
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea has a molecular weight of 233.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea is sourced from PubChem (CID 62414254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).