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

C20H27NO — CID 58954900

IUPAC4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C20H27NO/c1-19(22)10-12-20(13-11-19,15-21(2)3)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyBCCQIRBEFSTJID-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.96
Rot. Bonds3

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

4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 58954900) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID58954900
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C20H27NO/c1-19(22)10-12-20(13-11-19,15-21(2)3)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyBCCQIRBEFSTJID-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol (CID 58954900) is 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol is CN(C)CC1(c2ccc3ccccc3c2)CCC(C)(O)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is BCCQIRBEFSTJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-19(22)10-12-20(13-11-19,15-21(2)3)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14,22H,10-13,15H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 58954900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).