[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine

C14H21NO2 — CID 117343179

IUPAC[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
SMILESCOCc1cc(OC)ccc1C1(CN)CCC1
InChIInChI=1S/C14H21NO2/c1-16-9-11-8-12(17-2)4-5-13(11)14(10-15)6-3-7-14/h4-5,8H,3,6-7,9-10,15H2,1-2H3
InChIKeyYZWTWIULEOEFNC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds5

About [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine

[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117343179) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
PubChem CID117343179
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
SMILESCOCc1cc(OC)ccc1C1(CN)CCC1
InChIInChI=1S/C14H21NO2/c1-16-9-11-8-12(17-2)4-5-13(11)14(10-15)6-3-7-14/h4-5,8H,3,6-7,9-10,15H2,1-2H3
InChIKeyYZWTWIULEOEFNC-UHFFFAOYSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197
[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclobutyl]methanamine
CID 117412717
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
CID 116995348
1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117381454
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903

Frequently Asked Questions

What is the IUPAC name of [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine (CID 117343179) is [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine is COCc1cc(OC)ccc1C1(CN)CCC1.
What is the InChIKey of [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is YZWTWIULEOEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-9-11-8-12(17-2)4-5-13(11)14(10-15)6-3-7-14/h4-5,8H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine?
[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117343179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).