trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol

C15H21Cl2NO — CID 58954805

IUPACtrans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1O
InChIInChI=1S/C15H21Cl2NO/c1-18(2)10-15(8-4-3-5-14(15)19)11-6-7-12(16)13(17)9-11/h6-7,9,14,19H,3-5,8,10H2,1-2H3/t14-,15-/m0/s1
InChIKeyHSGRXCWTZSFFOF-GJZGRUSLSA-N
MW302.25 g/mol
LogP3.73
Rot. Bonds3

About trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol

trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 58954805) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID58954805
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Nametrans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1O
InChIInChI=1S/C15H21Cl2NO/c1-18(2)10-15(8-4-3-5-14(15)19)11-6-7-12(16)13(17)9-11/h6-7,9,14,19H,3-5,8,10H2,1-2H3/t14-,15-/m0/s1
InChIKeyHSGRXCWTZSFFOF-GJZGRUSLSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 58954805) is trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is HSGRXCWTZSFFOF-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-18(2)10-15(8-4-3-5-14(15)19)11-6-7-12(16)13(17)9-11/h6-7,9,14,19H,3-5,8,10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 302.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 58954805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).