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

C16H19N3O — CID 43437759

IUPAC1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C(C)N)cc1
InChIInChI=1S/C16H19N3O/c1-11-7-9-13(10-8-11)18-16(20)19-15-6-4-3-5-14(15)12(2)17/h3-10,12H,17H2,1-2H3,(H2,18,19,20)
InChIKeyZOJQHXXDBKXKGK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.66
Rot. Bonds3

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

1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea (PubChem CID 43437759) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
PubChem CID43437759
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C(C)N)cc1
InChIInChI=1S/C16H19N3O/c1-11-7-9-13(10-8-11)18-16(20)19-15-6-4-3-5-14(15)12(2)17/h3-10,12H,17H2,1-2H3,(H2,18,19,20)
InChIKeyZOJQHXXDBKXKGK-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 61310773
2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide
CID 46949694
ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 108991621
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
CID 43508295
1-(4-methylphenyl)-3-[2-[(4-methylphenyl)sulfanylcarbamoylamino]phenyl]sulfanylurea
CID 123158450
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
CID 970476
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea (CID 43437759) is 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2C(C)N)cc1.
What is the InChIKey of 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is ZOJQHXXDBKXKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-7-9-13(10-8-11)18-16(20)19-15-6-4-3-5-14(15)12(2)17/h3-10,12H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea?
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 43437759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).