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

C17H21N3O — CID 43437749

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(C)Cc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21N3O/c1-13-6-8-16(9-7-13)19-17(21)20(2)12-15-5-3-4-14(10-15)11-18/h3-10H,11-12,18H2,1-2H3,(H,19,21)
InChIKeyNZAABCZWJJKSIJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.12
Rot. Bonds4

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

1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea (PubChem CID 43437749) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
PubChem CID43437749
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(C)Cc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21N3O/c1-13-6-8-16(9-7-13)19-17(21)20(2)12-15-5-3-4-14(10-15)11-18/h3-10H,11-12,18H2,1-2H3,(H,19,21)
InChIKeyNZAABCZWJJKSIJ-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-[(3-aminophenyl)methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43457897
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea (CID 43437749) is 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N(C)Cc2cccc(CN)c2)cc1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea?
The InChIKey is NZAABCZWJJKSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-6-8-16(9-7-13)19-17(21)20(2)12-15-5-3-4-14(10-15)11-18/h3-10H,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea?
1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-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-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea is sourced from PubChem (CID 43437749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).