[2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol

C23H24F3NO — CID 19077429

IUPAC[2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol
SMILESCC(C)(C)CNc1ccc(C(F)(F)F)cc1C(O)c1cccc2ccccc12
InChIInChI=1S/C23H24F3NO/c1-22(2,3)14-27-20-12-11-16(23(24,25)26)13-19(20)21(28)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,21,27-28H,14H2,1-3H3
InChIKeyDAJIMTPMKXGTQO-UHFFFAOYSA-N
MW387.45 g/mol
LogP6.40
Rot. Bonds4

About [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol

[2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol (PubChem CID 19077429) has the molecular formula C23H24F3NO and a molecular weight of 387.45 g/mol. Its IUPAC name is [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name[2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol
PubChem CID19077429
Molecular FormulaC23H24F3NO
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name[2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol
SMILESCC(C)(C)CNc1ccc(C(F)(F)F)cc1C(O)c1cccc2ccccc12
InChIInChI=1S/C23H24F3NO/c1-22(2,3)14-27-20-12-11-16(23(24,25)26)13-19(20)21(28)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,21,27-28H,14H2,1-3H3
InChIKeyDAJIMTPMKXGTQO-UHFFFAOYSA-N
XLogP6.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol?
The IUPAC name of [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol (CID 19077429) is [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol.
What is the SMILES notation for [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol?
The canonical SMILES for [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol is CC(C)(C)CNc1ccc(C(F)(F)F)cc1C(O)c1cccc2ccccc12.
What is the InChIKey of [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol?
The InChIKey is DAJIMTPMKXGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO/c1-22(2,3)14-27-20-12-11-16(23(24,25)26)13-19(20)21(28)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,21,27-28H,14H2,1-3H3.
What are the key properties of [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol?
[2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol has a molecular weight of 387.45 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropylamino)-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethanol is sourced from PubChem (CID 19077429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).