3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol

C15H21Cl2NO — CID 58954830

IUPAC3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCC(O)C1
InChIInChI=1S/C15H21Cl2NO/c1-18(2)10-15(7-3-4-12(19)9-15)11-5-6-13(16)14(17)8-11/h5-6,8,12,19H,3-4,7,9-10H2,1-2H3
InChIKeyOFNUZQBEAGZOPP-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.73
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol

3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 58954830) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID58954830
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCC(O)C1
InChIInChI=1S/C15H21Cl2NO/c1-18(2)10-15(7-3-4-12(19)9-15)11-5-6-13(16)14(17)8-11/h5-6,8,12,19H,3-4,7,9-10H2,1-2H3
InChIKeyOFNUZQBEAGZOPP-UHFFFAOYSA-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 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol (CID 58954830) is 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCCC(O)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is OFNUZQBEAGZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-18(2)10-15(7-3-4-12(19)9-15)11-5-6-13(16)14(17)8-11/h5-6,8,12,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol?
3-(3,4-dichlorophenyl)-3-[(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 3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 58954830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).