1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea

C11H16ClN3O — CID 82354382

IUPAC1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
SMILESCCN(CCN)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3O/c1-2-15(8-7-13)11(16)14-10-5-3-9(12)4-6-10/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyKHJHJZUKFZILFT-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea

1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea (PubChem CID 82354382) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
PubChem CID82354382
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
SMILESCCN(CCN)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3O/c1-2-15(8-7-13)11(16)14-10-5-3-9(12)4-6-10/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyKHJHJZUKFZILFT-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
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3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
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3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
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3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111115015
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea?
The IUPAC name of 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea (CID 82354382) is 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea is CCN(CCN)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea?
The InChIKey is KHJHJZUKFZILFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-15(8-7-13)11(16)14-10-5-3-9(12)4-6-10/h3-6H,2,7-8,13H2,1H3,(H,14,16).
What are the key properties of 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea?
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea has a molecular weight of 241.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea is sourced from PubChem (CID 82354382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).