[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine

C13H18ClNO2 — CID 117392400

IUPAC[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)c(Cl)c1OC
InChIInChI=1S/C13H18ClNO2/c1-16-10-5-4-9(11(14)12(10)17-2)13(8-15)6-3-7-13/h4-5H,3,6-8,15H2,1-2H3
InChIKeyFEXBSJZIOFXSBF-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.74
Rot. Bonds4

About [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine

[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine (PubChem CID 117392400) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
PubChem CID117392400
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)c(Cl)c1OC
InChIInChI=1S/C13H18ClNO2/c1-16-10-5-4-9(11(14)12(10)17-2)13(8-15)6-3-7-13/h4-5H,3,6-8,15H2,1-2H3
InChIKeyFEXBSJZIOFXSBF-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine (CID 117392400) is [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine is COc1ccc(C2(CN)CCC2)c(Cl)c1OC.
What is the InChIKey of [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine?
The InChIKey is FEXBSJZIOFXSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-10-5-4-9(11(14)12(10)17-2)13(8-15)6-3-7-13/h4-5H,3,6-8,15H2,1-2H3.
What are the key properties of [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine?
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine has a molecular weight of 255.74 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117392400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).