3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol

C22H25NO — CID 86287683

IUPAC3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESCN(C)CC(C)(c1ccc2ccccc2c1)C(O)c1ccccc1
InChIInChI=1S/C22H25NO/c1-22(16-23(2)3,21(24)18-10-5-4-6-11-18)20-14-13-17-9-7-8-12-19(17)15-20/h4-15,21,24H,16H2,1-3H3
InChIKeyWVMRNJPSSWNSQF-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.39
Rot. Bonds5

About 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol

3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol (PubChem CID 86287683) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol
PubChem CID86287683
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESCN(C)CC(C)(c1ccc2ccccc2c1)C(O)c1ccccc1
InChIInChI=1S/C22H25NO/c1-22(16-23(2)3,21(24)18-10-5-4-6-11-18)20-14-13-17-9-7-8-12-19(17)15-20/h4-15,21,24H,16H2,1-3H3
InChIKeyWVMRNJPSSWNSQF-UHFFFAOYSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol (CID 86287683) is 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol is CN(C)CC(C)(c1ccc2ccccc2c1)C(O)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The InChIKey is WVMRNJPSSWNSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-22(16-23(2)3,21(24)18-10-5-4-6-11-18)20-14-13-17-9-7-8-12-19(17)15-20/h4-15,21,24H,16H2,1-3H3.
What are the key properties of 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol?
3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-2-naphthalen-2-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 86287683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).