1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea

C13H19N3O — CID 116658108

IUPAC1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
SMILESCN(C(=O)NC1CCC1)c1ccc(CN)cc1
InChIInChI=1S/C13H19N3O/c1-16(13(17)15-11-3-2-4-11)12-7-5-10(9-14)6-8-12/h5-8,11H,2-4,9,14H2,1H3,(H,15,17)
InChIKeyWOTZAXRVDNCRBO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.84
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea

1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea (PubChem CID 116658108) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
PubChem CID116658108
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
SMILESCN(C(=O)NC1CCC1)c1ccc(CN)cc1
InChIInChI=1S/C13H19N3O/c1-16(13(17)15-11-3-2-4-11)12-7-5-10(9-14)6-8-12/h5-8,11H,2-4,9,14H2,1H3,(H,15,17)
InChIKeyWOTZAXRVDNCRBO-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide
CID 43275576
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea
CID 69068951
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107174541
N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
CID 55048035
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea (CID 116658108) is 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea is CN(C(=O)NC1CCC1)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea?
The InChIKey is WOTZAXRVDNCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(13(17)15-11-3-2-4-11)12-7-5-10(9-14)6-8-12/h5-8,11H,2-4,9,14H2,1H3,(H,15,17).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea?
1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea has a molecular weight of 233.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea is sourced from PubChem (CID 116658108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).