1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea

C12H19N3O — CID 61348548

IUPAC1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
SMILESCCN(CCN)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H19N3O/c1-3-15(8-7-13)12(16)14-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,13H2,1-2H3,(H,14,16)
InChIKeySTICQJNRWOIOLI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea

1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea (PubChem CID 61348548) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
PubChem CID61348548
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
SMILESCCN(CCN)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H19N3O/c1-3-15(8-7-13)12(16)14-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,13H2,1-2H3,(H,14,16)
InChIKeySTICQJNRWOIOLI-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)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-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
CID 108888023
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
1-(4-aminobutan-2-yl)-1-methyl-3-(3-methylphenyl)urea
CID 55174910
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
CID 43137073
1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen
CID 143509551
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
1-(2-aminoethyl)-1-propyl-3-[3-(trifluoromethyl)phenyl]urea
CID 61349730
3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 10495245

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea (CID 61348548) is 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea is CCN(CCN)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea?
The InChIKey is STICQJNRWOIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(8-7-13)12(16)14-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea?
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea has a molecular weight of 221.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 61348548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).