1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea

C15H25N3O2 — CID 114943944

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea
SMILESCCOC(C)(C)CNC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C15H25N3O2/c1-5-20-15(3,4)10-17-14(19)18-13-8-6-12(7-9-13)11(2)16/h6-9,11H,5,10,16H2,1-4H3,(H2,17,18,19)
InChIKeyLIZHDBFYDFRSFF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.64
Rot. Bonds6

About 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea

1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea (PubChem CID 114943944) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea
PubChem CID114943944
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea
SMILESCCOC(C)(C)CNC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C15H25N3O2/c1-5-20-15(3,4)10-17-14(19)18-13-8-6-12(7-9-13)11(2)16/h6-9,11H,5,10,16H2,1-4H3,(H2,17,18,19)
InChIKeyLIZHDBFYDFRSFF-UHFFFAOYSA-N
XLogP2.64
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea 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-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 114943941
1-[4-(1-aminoethyl)phenyl]-3-(2-methyl-2-methylsulfonylpropyl)urea
CID 79558826
3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide
CID 106279936
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
CID 61340044
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfinylethyl)urea
CID 113480473
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
CID 61341143
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
1-[4-(1-aminoethyl)phenyl]-3-(3-methylsulfanylpropyl)urea
CID 63963555

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea (CID 114943944) is 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea is CCOC(C)(C)CNC(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea?
The InChIKey is LIZHDBFYDFRSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-20-15(3,4)10-17-14(19)18-13-8-6-12(7-9-13)11(2)16/h6-9,11H,5,10,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea has a molecular weight of 279.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-(2-ethoxy-2-methylpropyl)urea is sourced from PubChem (CID 114943944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).