1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea

C14H15N3O2 — CID 57445000

IUPAC1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
SMILESNc1ccc(NC(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C14H15N3O2/c15-11-4-6-12(7-5-11)16-14(19)17-13-3-1-2-10(8-13)9-18/h1-8,18H,9,15H2,(H2,16,17,19)
InChIKeyWKFOCXVRKNGMHW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.41
Rot. Bonds3

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

1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea (PubChem CID 57445000) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
PubChem CID57445000
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
SMILESNc1ccc(NC(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C14H15N3O2/c15-11-4-6-12(7-5-11)16-14(19)17-13-3-1-2-10(8-13)9-18/h1-8,18H,9,15H2,(H2,16,17,19)
InChIKeyWKFOCXVRKNGMHW-UHFFFAOYSA-N
XLogP2.41
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.41
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-(2-hydroxyethyl)phenyl]urea
CID 66721682
1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 131994372
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 80555200
1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122453143
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
CID 60659461
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108897076
2-(5-amino-2-pyridinyl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 107337793
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea (CID 57445000) is 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea is Nc1ccc(NC(=O)Nc2cccc(CO)c2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
The InChIKey is WKFOCXVRKNGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-11-4-6-12(7-5-11)16-14(19)17-13-3-1-2-10(8-13)9-18/h1-8,18H,9,15H2,(H2,16,17,19).
What are the key properties of 1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea?
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea has a molecular weight of 257.29 g/mol, XLogP of 2.41, 3 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-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 57445000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).