4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol

C21H29NO — CID 68674870

IUPAC4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCC(N(C)C)C1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C21H29NO/c1-16(22(3)4)21(13-11-20(2,23)12-14-21)19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15-16,23H,11-14H2,1-4H3
InChIKeyDIFMRPZOXBYZFC-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.35
Rot. Bonds3

About 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol

4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 68674870) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID68674870
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCC(N(C)C)C1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C21H29NO/c1-16(22(3)4)21(13-11-20(2,23)12-14-21)19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15-16,23H,11-14H2,1-4H3
InChIKeyDIFMRPZOXBYZFC-UHFFFAOYSA-N
XLogP4.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol (CID 68674870) is 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol is CC(N(C)C)C1(c2ccc3ccccc3c2)CCC(C)(O)CC1.
What is the InChIKey of 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is DIFMRPZOXBYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-16(22(3)4)21(13-11-20(2,23)12-14-21)19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15-16,23H,11-14H2,1-4H3.
What are the key properties of 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 68674870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).