1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea

C13H19N3O — CID 55104129

IUPAC1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
SMILESNCCc1ccc(CNC(=O)NC2CC2)cc1
InChIInChI=1S/C13H19N3O/c14-8-7-10-1-3-11(4-2-10)9-15-13(17)16-12-5-6-12/h1-4,12H,5-9,14H2,(H2,15,16,17)
InChIKeyIYRONYUQNGNFND-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.15
Rot. Bonds5

About 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea

1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea (PubChem CID 55104129) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
PubChem CID55104129
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
SMILESNCCc1ccc(CNC(=O)NC2CC2)cc1
InChIInChI=1S/C13H19N3O/c14-8-7-10-1-3-11(4-2-10)9-15-13(17)16-12-5-6-12/h1-4,12H,5-9,14H2,(H2,15,16,17)
InChIKeyIYRONYUQNGNFND-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea
CID 154770875
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741
1-[(4-chlorophenyl)methyl]-3-[4-[(6-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834993
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
4-[[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]methyl]benzoic acid
CID 122016114

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea?
The IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea (CID 55104129) is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea?
The canonical SMILES for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea is NCCc1ccc(CNC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea?
The InChIKey is IYRONYUQNGNFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-8-7-10-1-3-11(4-2-10)9-15-13(17)16-12-5-6-12/h1-4,12H,5-9,14H2,(H2,15,16,17).
What are the key properties of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea?
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea has a molecular weight of 233.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea is sourced from PubChem (CID 55104129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).