1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine

C15H20Cl2FN — CID 68673889

IUPAC1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1
InChIInChI=1S/C15H20Cl2FN/c1-19(2)10-15(7-5-12(18)6-8-15)11-3-4-13(16)14(17)9-11/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyOISBYAXPTPVNIZ-UHFFFAOYSA-N
MW304.24 g/mol
LogP4.70
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine

1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine (PubChem CID 68673889) has the molecular formula C15H20Cl2FN and a molecular weight of 304.24 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine
PubChem CID68673889
Molecular FormulaC15H20Cl2FN
Molecular Weight304.24 g/mol
Exact Mass303.10
IUPAC Name1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1
InChIInChI=1S/C15H20Cl2FN/c1-19(2)10-15(7-5-12(18)6-8-15)11-3-4-13(16)14(17)9-11/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyOISBYAXPTPVNIZ-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine (CID 68673889) is 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is OISBYAXPTPVNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2FN/c1-19(2)10-15(7-5-12(18)6-8-15)11-3-4-13(16)14(17)9-11/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine?
1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 304.24 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 68673889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).