6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol

C18H27Cl2NO — CID 19823640

IUPAC6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol
SMILESCC(O)CCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C18H27Cl2NO/c1-13(22)6-4-7-17(21(2)3)18(10-5-11-18)14-8-9-15(19)16(20)12-14/h8-9,12-13,17,22H,4-7,10-11H2,1-3H3
InChIKeyPAZALEKDBLKRKI-UHFFFAOYSA-N
MW344.33 g/mol
LogP4.90
Rot. Bonds7

About 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol

6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol (PubChem CID 19823640) has the molecular formula C18H27Cl2NO and a molecular weight of 344.33 g/mol. Its IUPAC name is 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol.

Molecular Properties

Compound Name6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol
PubChem CID19823640
Molecular FormulaC18H27Cl2NO
Molecular Weight344.33 g/mol
Exact Mass343.15
IUPAC Name6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol
SMILESCC(O)CCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C18H27Cl2NO/c1-13(22)6-4-7-17(21(2)3)18(10-5-11-18)14-8-9-15(19)16(20)12-14/h8-9,12-13,17,22H,4-7,10-11H2,1-3H3
InChIKeyPAZALEKDBLKRKI-UHFFFAOYSA-N
XLogP4.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol?
The IUPAC name of 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol (CID 19823640) is 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol.
What is the SMILES notation for 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol?
The canonical SMILES for 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol is CC(O)CCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol?
The InChIKey is PAZALEKDBLKRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2NO/c1-13(22)6-4-7-17(21(2)3)18(10-5-11-18)14-8-9-15(19)16(20)12-14/h8-9,12-13,17,22H,4-7,10-11H2,1-3H3.
What are the key properties of 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol?
6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol has a molecular weight of 344.33 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4-dichlorophenyl)cyclobutyl]-6-(dimethylamino)hexan-2-ol is sourced from PubChem (CID 19823640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).