1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea

C15H17N3O2 — CID 122453143

IUPAC1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea
SMILESNCCc1cccc(NC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C15H17N3O2/c16-9-8-11-2-1-3-13(10-11)18-15(20)17-12-4-6-14(19)7-5-12/h1-7,10,19H,8-9,16H2,(H2,17,18,20)
InChIKeyZWXZOSVNRZBWSH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.54
Rot. Bonds4

About 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea

1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea (PubChem CID 122453143) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea
PubChem CID122453143
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea
SMILESNCCc1cccc(NC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C15H17N3O2/c16-9-8-11-2-1-3-13(10-11)18-15(20)17-12-4-6-14(19)7-5-12/h1-7,10,19H,8-9,16H2,(H2,17,18,20)
InChIKeyZWXZOSVNRZBWSH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea
CID 66721682
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
CID 66941489
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-[3-(3-aminopropyl)phenyl]-3-benzylurea
CID 107654561
1-[3-(3-aminopropyl)phenyl]-3-butylurea
CID 113397957
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea (CID 122453143) is 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea is NCCc1cccc(NC(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea?
The InChIKey is ZWXZOSVNRZBWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-9-8-11-2-1-3-13(10-11)18-15(20)17-12-4-6-14(19)7-5-12/h1-7,10,19H,8-9,16H2,(H2,17,18,20).
What are the key properties of 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea?
1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 122453143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).