[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine

C12H15Cl2NO — CID 117404130

IUPAC[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1cc(Cl)cc(C2(CN)CCC2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-16-10-6-8(13)5-9(11(10)14)12(7-15)3-2-4-12/h5-6H,2-4,7,15H2,1H3
InChIKeyZMSUKADVONZFOU-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.38
Rot. Bonds3

About [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine

[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 117404130) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
PubChem CID117404130
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1cc(Cl)cc(C2(CN)CCC2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-16-10-6-8(13)5-9(11(10)14)12(7-15)3-2-4-12/h5-6H,2-4,7,15H2,1H3
InChIKeyZMSUKADVONZFOU-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117479545

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine (CID 117404130) is [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine is COc1cc(Cl)cc(C2(CN)CCC2)c1Cl.
What is the InChIKey of [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is ZMSUKADVONZFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-16-10-6-8(13)5-9(11(10)14)12(7-15)3-2-4-12/h5-6H,2-4,7,15H2,1H3.
What are the key properties of [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine?
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117404130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).