[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine

C14H21NO2 — CID 115040907

IUPAC[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine
SMILESCOCC1(c2cccc(OC)c2)CC(CN)C1
InChIInChI=1S/C14H21NO2/c1-16-10-14(7-11(8-14)9-15)12-4-3-5-13(6-12)17-2/h3-6,11H,7-10,15H2,1-2H3
InChIKeyVWKPKDIKFIKUAZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds5

About [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine

[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 115040907) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine
PubChem CID115040907
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine
SMILESCOCC1(c2cccc(OC)c2)CC(CN)C1
InChIInChI=1S/C14H21NO2/c1-16-10-14(7-11(8-14)9-15)12-4-3-5-13(6-12)17-2/h3-6,11H,7-10,15H2,1-2H3
InChIKeyVWKPKDIKFIKUAZ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65010847
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-(3-methoxyphenyl)adamantane
CID 54036220
(E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine
CID 115111068
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine (CID 115040907) is [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine is COCC1(c2cccc(OC)c2)CC(CN)C1.
What is the InChIKey of [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is VWKPKDIKFIKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-14(7-11(8-14)9-15)12-4-3-5-13(6-12)17-2/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine?
[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 115040907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).