1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea

C16H19N3O — CID 43458533

IUPAC1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(C)Cc2ccccc2N)c1
InChIInChI=1S/C16H19N3O/c1-12-6-5-8-14(10-12)18-16(20)19(2)11-13-7-3-4-9-15(13)17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyFKKYDCSIHDCMFS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.24
Rot. Bonds3

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

1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea (PubChem CID 43458533) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
PubChem CID43458533
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(C)Cc2ccccc2N)c1
InChIInChI=1S/C16H19N3O/c1-12-6-5-8-14(10-12)18-16(20)19(2)11-13-7-3-4-9-15(13)17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyFKKYDCSIHDCMFS-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
1-[(4-chlorophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868392
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
1-(2-amino-2-hydroxyiminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 76929111
N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 27734618

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea (CID 43458533) is 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N(C)Cc2ccccc2N)c1.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
The InChIKey is FKKYDCSIHDCMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-5-8-14(10-12)18-16(20)19(2)11-13-7-3-4-9-15(13)17/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea?
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 43458533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).