4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol

C17H25Cl2NO — CID 68674130

IUPAC4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(CNC)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2NO/c1-3-6-17(21)9-7-16(8-10-17,12-20-2)13-4-5-14(18)15(19)11-13/h4-5,11,20-21H,3,6-10,12H2,1-2H3
InChIKeyCJYZFPJHINLWKF-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.56
Rot. Bonds5

About 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol

4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol (PubChem CID 68674130) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol
PubChem CID68674130
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(CNC)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2NO/c1-3-6-17(21)9-7-16(8-10-17,12-20-2)13-4-5-14(18)15(19)11-13/h4-5,11,20-21H,3,6-10,12H2,1-2H3
InChIKeyCJYZFPJHINLWKF-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol (CID 68674130) is 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol is CCCC1(O)CCC(CNC)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol?
The InChIKey is CJYZFPJHINLWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-3-6-17(21)9-7-16(8-10-17,12-20-2)13-4-5-14(18)15(19)11-13/h4-5,11,20-21H,3,6-10,12H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol?
4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol has a molecular weight of 330.30 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-4-(methylaminomethyl)-1-propylcyclohexan-1-ol is sourced from PubChem (CID 68674130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).