1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea

C17H21N3O — CID 107653273

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
SMILESCN(Cc1ccccc1CN)C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-20(13-16-10-6-5-9-15(16)11-18)17(21)19-12-14-7-3-2-4-8-14/h2-10H,11-13,18H2,1H3,(H,19,21)
InChIKeyHFOPRECGLKCDRA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.49
Rot. Bonds5

About 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea

1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea (PubChem CID 107653273) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
PubChem CID107653273
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
SMILESCN(Cc1ccccc1CN)C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-20(13-16-10-6-5-9-15(16)11-18)17(21)19-12-14-7-3-2-4-8-14/h2-10H,11-13,18H2,1H3,(H,19,21)
InChIKeyHFOPRECGLKCDRA-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 24664938
1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
CID 60922077
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
3-benzyl-1-[[4-(diethylamino)phenyl]methyl]-1-methylurea
CID 24664576
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
CID 10243836
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea (CID 107653273) is 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea is CN(Cc1ccccc1CN)C(=O)NCc1ccccc1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea?
The InChIKey is HFOPRECGLKCDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(13-16-10-6-5-9-15(16)11-18)17(21)19-12-14-7-3-2-4-8-14/h2-10H,11-13,18H2,1H3,(H,19,21).
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea?
1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea has a molecular weight of 283.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea is sourced from PubChem (CID 107653273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).