(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone

C15H21NO3 — CID 116921712

IUPAC(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
SMILESCNCC1(C(=O)c2ccc(OC)c(OC)c2)CCC1
InChIInChI=1S/C15H21NO3/c1-16-10-15(7-4-8-15)14(17)11-5-6-12(18-2)13(9-11)19-3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyYGXNCFXQMGJVQX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone

(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone (PubChem CID 116921712) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
PubChem CID116921712
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
SMILESCNCC1(C(=O)c2ccc(OC)c(OC)c2)CCC1
InChIInChI=1S/C15H21NO3/c1-16-10-15(7-4-8-15)14(17)11-5-6-12(18-2)13(9-11)19-3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyYGXNCFXQMGJVQX-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921717
(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921451
(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568591
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
methyl 1-(4-methoxy-3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922051
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone
CID 116921365
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183686
(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115781751

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone (CID 116921712) is (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone is CNCC1(C(=O)c2ccc(OC)c(OC)c2)CCC1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The InChIKey is YGXNCFXQMGJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-10-15(7-4-8-15)14(17)11-5-6-12(18-2)13(9-11)19-3/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone?
(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone is sourced from PubChem (CID 116921712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).