3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea

C12H19N3O2 — CID 61341691

IUPAC3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCC(N)c1cccc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C12H19N3O2/c1-9(13)10-4-3-5-11(8-10)14-12(17)15(2)6-7-16/h3-5,8-9,16H,6-7,13H2,1-2H3,(H,14,17)
InChIKeyWOTKXYZWOKKOPG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.16
Rot. Bonds4

About 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea

3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 61341691) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID61341691
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCC(N)c1cccc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C12H19N3O2/c1-9(13)10-4-3-5-11(8-10)14-12(17)15(2)6-7-16/h3-5,8-9,16H,6-7,13H2,1-2H3,(H,14,17)
InChIKeyWOTKXYZWOKKOPG-UHFFFAOYSA-N
XLogP1.16
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea 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

3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
CID 61342222
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 61339685
3-[3-(1-aminoethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102869480
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
1-[(3S)-3-hydroxybutyl]-1-methyl-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
CID 97019573
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
CID 63939898
1-(2-ethoxyethyl)-3-[3-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043707
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea (CID 61341691) is 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea is CC(N)c1cccc(NC(=O)N(C)CCO)c1.
What is the InChIKey of 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is WOTKXYZWOKKOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(13)10-4-3-5-11(8-10)14-12(17)15(2)6-7-16/h3-5,8-9,16H,6-7,13H2,1-2H3,(H,14,17).
What are the key properties of 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 237.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 61341691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).