1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine

C15H22ClNO2 — CID 103163381

IUPAC1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1ccc(OC)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-17-12(9-10-5-4-6-10)11-7-8-13(18-2)14(16)15(11)19-3/h7-8,10,12,17H,4-6,9H2,1-3H3
InChIKeyIWSGZBRITAXZBY-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.81
Rot. Bonds6

About 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine

1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine (PubChem CID 103163381) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine
PubChem CID103163381
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1ccc(OC)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-17-12(9-10-5-4-6-10)11-7-8-13(18-2)14(16)15(11)19-3/h7-8,10,12,17H,4-6,9H2,1-3H3
InChIKeyIWSGZBRITAXZBY-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
2-(2,3-dichloro-4-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830702
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
CID 115863730
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine
CID 115863462
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105176539

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine?
The IUPAC name of 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine (CID 103163381) is 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine is CNC(CC1CCC1)c1ccc(OC)c(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine?
The InChIKey is IWSGZBRITAXZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-17-12(9-10-5-4-6-10)11-7-8-13(18-2)14(16)15(11)19-3/h7-8,10,12,17H,4-6,9H2,1-3H3.
What are the key properties of 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine?
1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 103163381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).