1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea

C16H19N3O — CID 43437708

IUPAC1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)c2ccccc2N)cc1
InChIInChI=1S/C16H19N3O/c1-11-7-9-13(10-8-11)19-16(20)18-12(2)14-5-3-4-6-15(14)17/h3-10,12H,17H2,1-2H3,(H2,18,19,20)
InChIKeyVVLLVMIDSNEQMM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.46
Rot. Bonds3

About 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea

1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea (PubChem CID 43437708) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
PubChem CID43437708
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)c2ccccc2N)cc1
InChIInChI=1S/C16H19N3O/c1-11-7-9-13(10-8-11)19-16(20)18-12(2)14-5-3-4-6-15(14)17/h3-10,12H,17H2,1-2H3,(H2,18,19,20)
InChIKeyVVLLVMIDSNEQMM-UHFFFAOYSA-N
XLogP3.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
CID 94841865
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 27474756

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea (CID 43437708) is 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC(C)c2ccccc2N)cc1.
What is the InChIKey of 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea?
The InChIKey is VVLLVMIDSNEQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-7-9-13(10-8-11)19-16(20)18-12(2)14-5-3-4-6-15(14)17/h3-10,12H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea?
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 43437708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).