1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea

C16H19N3O — CID 60922077

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
SMILESCN(Cc1ccccc1CN)C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(12-14-8-6-5-7-13(14)11-17)16(20)18-15-9-3-2-4-10-15/h2-10H,11-12,17H2,1H3,(H,18,20)
InChIKeySZYNOHVAGNZAFY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.81
Rot. Bonds4

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

1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea (PubChem CID 60922077) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
PubChem CID60922077
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
SMILESCN(Cc1ccccc1CN)C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(12-14-8-6-5-7-13(14)11-17)16(20)18-15-9-3-2-4-10-15/h2-10H,11-12,17H2,1H3,(H,18,20)
InChIKeySZYNOHVAGNZAFY-UHFFFAOYSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
CID 107653273
1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
CID 3698434
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
1-(3-bromopropyl)-1-methyl-3-phenylurea
CID 106441527
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea (CID 60922077) is 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea is CN(Cc1ccccc1CN)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea?
The InChIKey is SZYNOHVAGNZAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(12-14-8-6-5-7-13(14)11-17)16(20)18-15-9-3-2-4-10-15/h2-10H,11-12,17H2,1H3,(H,18,20).
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea?
1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea has a molecular weight of 269.35 g/mol, XLogP of 2.81, 4 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]-1-methyl-3-phenylurea is sourced from PubChem (CID 60922077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).