cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol

C14H19Cl2NO — CID 122473385

IUPACcis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESCC(N)[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1O
InChIInChI=1S/C14H19Cl2NO/c1-9(17)14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8-9,13,18H,2-4,7,17H2,1H3/t9?,13-,14+/m0/s1
InChIKeyUNCQYINMLXKNTE-VOPCEASESA-N
MW288.22 g/mol
LogP3.51
Rot. Bonds2

About cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol

cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol (PubChem CID 122473385) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
PubChem CID122473385
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Namecis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESCC(N)[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1O
InChIInChI=1S/C14H19Cl2NO/c1-9(17)14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8-9,13,18H,2-4,7,17H2,1H3/t9?,13-,14+/m0/s1
InChIKeyUNCQYINMLXKNTE-VOPCEASESA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol (CID 122473385) is cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol is CC(N)[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
The InChIKey is UNCQYINMLXKNTE-VOPCEASESA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9(17)14(7-3-2-4-13(14)18)10-5-6-11(15)12(16)8-10/h5-6,8-9,13,18H,2-4,7,17H2,1H3/t9?,13-,14+/m0/s1.
What are the key properties of cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol?
cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(1-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 122473385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).