[4-(diethylamino)phenyl]urea;hydrochloride

C11H18ClN3O — CID 140506859

IUPAC[4-(diethylamino)phenyl]urea;hydrochloride
SMILESCCN(CC)c1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-3-14(4-2)10-7-5-9(6-8-10)13-11(12)15;/h5-8H,3-4H2,1-2H3,(H3,12,13,15);1H
InChIKeyPFGHVKFSZJDODU-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.45
Rot. Bonds4

About [4-(diethylamino)phenyl]urea;hydrochloride

[4-(diethylamino)phenyl]urea;hydrochloride (PubChem CID 140506859) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]urea;hydrochloride.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]urea;hydrochloride
PubChem CID140506859
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name[4-(diethylamino)phenyl]urea;hydrochloride
SMILESCCN(CC)c1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-3-14(4-2)10-7-5-9(6-8-10)13-11(12)15;/h5-8H,3-4H2,1-2H3,(H3,12,13,15);1H
InChIKeyPFGHVKFSZJDODU-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]urea;hydrochloride?
The IUPAC name of [4-(diethylamino)phenyl]urea;hydrochloride (CID 140506859) is [4-(diethylamino)phenyl]urea;hydrochloride.
What is the SMILES notation for [4-(diethylamino)phenyl]urea;hydrochloride?
The canonical SMILES for [4-(diethylamino)phenyl]urea;hydrochloride is CCN(CC)c1ccc(NC(N)=O)cc1.Cl.
What is the InChIKey of [4-(diethylamino)phenyl]urea;hydrochloride?
The InChIKey is PFGHVKFSZJDODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-3-14(4-2)10-7-5-9(6-8-10)13-11(12)15;/h5-8H,3-4H2,1-2H3,(H3,12,13,15);1H.
What are the key properties of [4-(diethylamino)phenyl]urea;hydrochloride?
[4-(diethylamino)phenyl]urea;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]urea;hydrochloride is sourced from PubChem (CID 140506859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).