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

C18H27Cl2NO — CID 69327604

IUPAC4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2NO/c1-4-7-18(22)10-8-17(9-11-18,13-21(2)3)14-5-6-15(19)16(20)12-14/h5-6,12,22H,4,7-11,13H2,1-3H3
InChIKeyCIBXZZCJJVKLKR-UHFFFAOYSA-N
MW344.33 g/mol
LogP4.90
Rot. Bonds5

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

4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol (PubChem CID 69327604) has the molecular formula C18H27Cl2NO and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol
PubChem CID69327604
Molecular FormulaC18H27Cl2NO
Molecular Weight344.33 g/mol
Exact Mass343.15
IUPAC Name4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2NO/c1-4-7-18(22)10-8-17(9-11-18,13-21(2)3)14-5-6-15(19)16(20)12-14/h5-6,12,22H,4,7-11,13H2,1-3H3
InChIKeyCIBXZZCJJVKLKR-UHFFFAOYSA-N
XLogP4.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol (CID 69327604) is 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol is CCCC1(O)CCC(CN(C)C)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol?
The InChIKey is CIBXZZCJJVKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2NO/c1-4-7-18(22)10-8-17(9-11-18,13-21(2)3)14-5-6-15(19)16(20)12-14/h5-6,12,22H,4,7-11,13H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol?
4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol has a molecular weight of 344.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-propylcyclohexan-1-ol is sourced from PubChem (CID 69327604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).