trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol

C14H19Cl2NO — CID 122473386

IUPACtrans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESNCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@H]1O
InChIInChI=1S/C14H19Cl2NO/c15-11-5-4-10(9-12(11)16)14(7-8-17)6-2-1-3-13(14)18/h4-5,9,13,18H,1-3,6-8,17H2/t13-,14-/m1/s1
InChIKeyQLSKZVMIQDQONN-ZIAGYGMSSA-N
MW288.22 g/mol
LogP3.51
Rot. Bonds3

About trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol

trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol (PubChem CID 122473386) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
PubChem CID122473386
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Nametrans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESNCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@H]1O
InChIInChI=1S/C14H19Cl2NO/c15-11-5-4-10(9-12(11)16)14(7-8-17)6-2-1-3-13(14)18/h4-5,9,13,18H,1-3,6-8,17H2/t13-,14-/m1/s1
InChIKeyQLSKZVMIQDQONN-ZIAGYGMSSA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol (CID 122473386) is trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol is NCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
The InChIKey is QLSKZVMIQDQONN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-11-5-4-10(9-12(11)16)14(7-8-17)6-2-1-3-13(14)18/h4-5,9,13,18H,1-3,6-8,17H2/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 122473386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).