1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea

C13H19N3O2 — CID 114120074

IUPAC1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea
SMILESCOC1CC(NC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C13H19N3O2/c1-18-12-6-11(7-12)16-13(17)15-10-4-2-3-9(5-10)8-14/h2-5,11-12H,6-8,14H2,1H3,(H2,15,16,17)
InChIKeyALAMIYGEXBPRBK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.44
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea

1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea (PubChem CID 114120074) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea
PubChem CID114120074
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea
SMILESCOC1CC(NC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C13H19N3O2/c1-18-12-6-11(7-12)16-13(17)15-10-4-2-3-9(5-10)8-14/h2-5,11-12H,6-8,14H2,1H3,(H2,15,16,17)
InChIKeyALAMIYGEXBPRBK-UHFFFAOYSA-N
XLogP1.44
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
CID 64732542
1-[3-(aminomethyl)phenyl]-3-(3,4-dimethylcyclohexyl)urea
CID 64743523
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
CID 61468180
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531213
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea (CID 114120074) is 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea is COC1CC(NC(=O)Nc2cccc(CN)c2)C1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea?
The InChIKey is ALAMIYGEXBPRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-6-11(7-12)16-13(17)15-10-4-2-3-9(5-10)8-14/h2-5,11-12H,6-8,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea?
1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea is sourced from PubChem (CID 114120074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).