[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride

C11H14Cl3N — CID 86201221

IUPAC[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
SMILESCl.NCC1(c2c(Cl)cccc2Cl)CCC1
InChIInChI=1S/C11H13Cl2N.ClH/c12-8-3-1-4-9(13)10(8)11(7-14)5-2-6-11;/h1,3-4H,2,5-7,14H2;1H
InChIKeyVVOICSGOOWGMOU-UHFFFAOYSA-N
MW266.60 g/mol
LogP3.80
Rot. Bonds2

About [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride

[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride (PubChem CID 86201221) has the molecular formula C11H14Cl3N and a molecular weight of 266.60 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
PubChem CID86201221
Molecular FormulaC11H14Cl3N
Molecular Weight266.60 g/mol
Exact Mass265.02
IUPAC Name[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
SMILESCl.NCC1(c2c(Cl)cccc2Cl)CCC1
InChIInChI=1S/C11H13Cl2N.ClH/c12-8-3-1-4-9(13)10(8)11(7-14)5-2-6-11;/h1,3-4H,2,5-7,14H2;1H
InChIKeyVVOICSGOOWGMOU-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
CID 117384952
3-[1-(aminomethyl)cyclobutyl]-4-chlorobenzene-1,2-diol
CID 117327819
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 117112223
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(3-chloro-2-pyridinyl)cyclopentyl]methanamine
CID 96865669
2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
CID 82084820

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride?
The IUPAC name of [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride (CID 86201221) is [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride is Cl.NCC1(c2c(Cl)cccc2Cl)CCC1.
What is the InChIKey of [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride?
The InChIKey is VVOICSGOOWGMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N.ClH/c12-8-3-1-4-9(13)10(8)11(7-14)5-2-6-11;/h1,3-4H,2,5-7,14H2;1H.
What are the key properties of [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride?
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride has a molecular weight of 266.60 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride is sourced from PubChem (CID 86201221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).