1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride

C10H12Cl3N — CID 86811782

IUPAC1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2c(Cl)cccc2Cl)CCC1
InChIInChI=1S/C10H11Cl2N.ClH/c11-7-3-1-4-8(12)9(7)10(13)5-2-6-10;/h1,3-4H,2,5-6,13H2;1H
InChIKeyUQSSKVAWCTVEAX-UHFFFAOYSA-N
MW252.57 g/mol
LogP3.75
Rot. Bonds1

About 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride

1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride (PubChem CID 86811782) has the molecular formula C10H12Cl3N and a molecular weight of 252.57 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride
PubChem CID86811782
Molecular FormulaC10H12Cl3N
Molecular Weight252.57 g/mol
Exact Mass251.00
IUPAC Name1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2c(Cl)cccc2Cl)CCC1
InChIInChI=1S/C10H11Cl2N.ClH/c11-7-3-1-4-8(12)9(7)10(13)5-2-6-10;/h1,3-4H,2,5-6,13H2;1H
InChIKeyUQSSKVAWCTVEAX-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride (CID 86811782) is 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride is Cl.NC1(c2c(Cl)cccc2Cl)CCC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is UQSSKVAWCTVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N.ClH/c11-7-3-1-4-8(12)9(7)10(13)5-2-6-10;/h1,3-4H,2,5-6,13H2;1H.
What are the key properties of 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride?
1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 252.57 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 86811782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).