4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol

C16H21NO — CID 85377854

IUPAC4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol
SMILESCN(C)CCC(C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(18,10-11-17(2)3)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,18H,10-11H2,1-3H3
InChIKeyGAOZGUXUGAZVAC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.00
Rot. Bonds4

About 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol

4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol (PubChem CID 85377854) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol
PubChem CID85377854
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol
SMILESCN(C)CCC(C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(18,10-11-17(2)3)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,18H,10-11H2,1-3H3
InChIKeyGAOZGUXUGAZVAC-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol (CID 85377854) is 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol is CN(C)CCC(C)(O)c1ccc2ccccc2c1.
What is the InChIKey of 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol?
The InChIKey is GAOZGUXUGAZVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(18,10-11-17(2)3)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol?
4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol is sourced from PubChem (CID 85377854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).