1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine

C14H21NO3 — CID 117381454

IUPAC1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
SMILESCOCc1ccc(C2(N)CCC2)c(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-9-10-5-6-11(14(15)7-4-8-14)13(18-3)12(10)17-2/h5-6H,4,7-9,15H2,1-3H3
InChIKeyWHOCCOIIHPYRFN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds5

About 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine

1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine (PubChem CID 117381454) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
PubChem CID117381454
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
SMILESCOCc1ccc(C2(N)CCC2)c(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-9-10-5-6-11(14(15)7-4-8-14)13(18-3)12(10)17-2/h5-6H,4,7-9,15H2,1-3H3
InChIKeyWHOCCOIIHPYRFN-UHFFFAOYSA-N
XLogP2.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-(2,3-dimethoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 117459726
1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457054
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
1-(4-methoxy-1,3-benzodioxol-5-yl)cyclobutan-1-amine
CID 117315660
3-(1-aminocyclobutyl)-6-chloro-2-methoxyphenol
CID 117327822

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine (CID 117381454) is 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine is COCc1ccc(C2(N)CCC2)c(OC)c1OC.
What is the InChIKey of 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine?
The InChIKey is WHOCCOIIHPYRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-9-10-5-6-11(14(15)7-4-8-14)13(18-3)12(10)17-2/h5-6H,4,7-9,15H2,1-3H3.
What are the key properties of 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine?
1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117381454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).