1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea

C17H21N3O — CID 60921949

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(C)Cc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21N3O/c1-13-4-3-5-16(10-13)19-17(21)20(2)12-15-8-6-14(11-18)7-9-15/h3-10H,11-12,18H2,1-2H3,(H,19,21)
InChIKeyPDQJUVRTQBOYOT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.12
Rot. Bonds4

About 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea

1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea (PubChem CID 60921949) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
PubChem CID60921949
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(C)Cc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21N3O/c1-13-4-3-5-16(10-13)19-17(21)20(2)12-15-8-6-14(11-18)7-9-15/h3-10H,11-12,18H2,1-2H3,(H,19,21)
InChIKeyPDQJUVRTQBOYOT-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795
N-methyl-4-[[methyl-[(3-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 27734618
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43437749
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea (CID 60921949) is 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N(C)Cc2ccc(CN)cc2)c1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea?
The InChIKey is PDQJUVRTQBOYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-4-3-5-16(10-13)19-17(21)20(2)12-15-8-6-14(11-18)7-9-15/h3-10H,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea?
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 60921949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).