1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea

C15H17N3O2 — CID 66721682

IUPAC1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea
SMILESNc1ccc(NC(=O)Nc2cccc(CCO)c2)cc1
InChIInChI=1S/C15H17N3O2/c16-12-4-6-13(7-5-12)17-15(20)18-14-3-1-2-11(10-14)8-9-19/h1-7,10,19H,8-9,16H2,(H2,17,18,20)
InChIKeyNHWOICXHCXDWTC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds4

About 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea

1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea (PubChem CID 66721682) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea
PubChem CID66721682
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea
SMILESNc1ccc(NC(=O)Nc2cccc(CCO)c2)cc1
InChIInChI=1S/C15H17N3O2/c16-12-4-6-13(7-5-12)17-15(20)18-14-3-1-2-11(10-14)8-9-19/h1-7,10,19H,8-9,16H2,(H2,17,18,20)
InChIKeyNHWOICXHCXDWTC-UHFFFAOYSA-N
XLogP2.45
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122453143
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 131994372
1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate
CID 177396001
1-[3-(2-hydroxyethyl)anilino]propan-2-one
CID 174381535

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea (CID 66721682) is 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea is Nc1ccc(NC(=O)Nc2cccc(CCO)c2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea?
The InChIKey is NHWOICXHCXDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-12-4-6-13(7-5-12)17-15(20)18-14-3-1-2-11(10-14)8-9-19/h1-7,10,19H,8-9,16H2,(H2,17,18,20).
What are the key properties of 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea?
1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea has a molecular weight of 271.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 66721682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).