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

C15H17N3O2 — CID 108897076

IUPAC1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESNc1ccc(NC(=O)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C15H17N3O2/c16-13-5-7-14(8-6-13)18-15(20)17-9-11-1-3-12(10-19)4-2-11/h1-8,19H,9-10,16H2,(H2,17,18,20)
InChIKeyPVKQVQAUVIMADX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds4

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

1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 108897076) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
PubChem CID108897076
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESNc1ccc(NC(=O)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C15H17N3O2/c16-13-5-7-14(8-6-13)18-15(20)17-9-11-1-3-12(10-19)4-2-11/h1-8,19H,9-10,16H2,(H2,17,18,20)
InChIKeyPVKQVQAUVIMADX-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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-chloro-4-fluorophenyl)methyl]urea
CID 62532764
1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 62991565
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108870224
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (CID 108897076) is 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea is Nc1ccc(NC(=O)NCc2ccc(CO)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is PVKQVQAUVIMADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-13-5-7-14(8-6-13)18-15(20)17-9-11-1-3-12(10-19)4-2-11/h1-8,19H,9-10,16H2,(H2,17,18,20).
What are the key properties of 1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 271.32 g/mol, XLogP of 2.08, 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-[[4-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 108897076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).