1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine

C14H19Cl2N — CID 24860904

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19Cl2N/c1-10(17)14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8,17H2,1H3
InChIKeyXAXLSVQFDZVYNG-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.54
Rot. Bonds2

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine

1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine (PubChem CID 24860904) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine
PubChem CID24860904
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19Cl2N/c1-10(17)14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8,17H2,1H3
InChIKeyXAXLSVQFDZVYNG-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine (CID 24860904) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine is CC(N)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine?
The InChIKey is XAXLSVQFDZVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10(17)14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8,17H2,1H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine has a molecular weight of 272.22 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanamine is sourced from PubChem (CID 24860904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).