[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine

C13H19NO2 — CID 84686797

IUPAC[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
SMILESCOc1ccc(OCC2(CN)CCC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-11-3-5-12(6-4-11)16-10-13(9-14)7-2-8-13/h3-6H,2,7-10,14H2,1H3
InChIKeyIZBDXTDBEHDVMB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.20
Rot. Bonds5

About [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine

[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine (PubChem CID 84686797) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
PubChem CID84686797
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
SMILESCOc1ccc(OCC2(CN)CCC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-11-3-5-12(6-4-11)16-10-13(9-14)7-2-8-13/h3-6H,2,7-10,14H2,1H3
InChIKeyIZBDXTDBEHDVMB-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine
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1-(2-Aminoethoxy)-4-methoxybenzene hydrochloride
CID 43810691
2-(4-Methoxyphenoxy)ethylamine
CID 1797793
3-(4-Methoxy-phenoxy)-propylamine
CID 3152109
2-(4-Methoxyphenoxy)propylamine
CID 5199614
1-[1-(Phenoxymethyl)cyclopropyl]methanamine
CID 28064583
(3S)-3-[(4-methoxyphenoxy)methyl]piperidine
CID 7219775
4-(4-methoxyphenoxy)-N-methylbutan-1-amine;hydrochloride
CID 12660405
3-[(4-Methoxyphenoxy)methyl]piperidine
CID 6484138
1-(4-Methoxyphenoxy)propan-2-amine
CID 6484652
2-[4-(2-Aminoethoxy)phenoxy]ethylamine
CID 37979394

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine (CID 84686797) is [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine is COc1ccc(OCC2(CN)CCC2)cc1.
What is the InChIKey of [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine?
The InChIKey is IZBDXTDBEHDVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-11-3-5-12(6-4-11)16-10-13(9-14)7-2-8-13/h3-6H,2,7-10,14H2,1H3.
What are the key properties of [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine?
[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 84686797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).