6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane

C30H35NO — CID 91484121

IUPAC6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane
SMILESCC.CC(Cc1ccc(CN(C)C)cc1)c1ccccc1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C28H29NO.C2H6/c1-20(16-21-8-10-22(11-9-21)19-29(2)3)27-6-4-5-7-28(27)25-13-12-24-18-26(30)15-14-23(24)17-25;1-2/h4-15,17-18,20,30H,16,19H2,1-3H3;1-2H3
InChIKeyWHDCLLWWTHJDIM-UHFFFAOYSA-N
MW425.62 g/mol
LogP7.65
Rot. Bonds6

About 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane

6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane (PubChem CID 91484121) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane.

Molecular Properties

Compound Name6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane
PubChem CID91484121
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane
SMILESCC.CC(Cc1ccc(CN(C)C)cc1)c1ccccc1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C28H29NO.C2H6/c1-20(16-21-8-10-22(11-9-21)19-29(2)3)27-6-4-5-7-28(27)25-13-12-24-18-26(30)15-14-23(24)17-25;1-2/h4-15,17-18,20,30H,16,19H2,1-3H3;1-2H3
InChIKeyWHDCLLWWTHJDIM-UHFFFAOYSA-N
XLogP7.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane?
The IUPAC name of 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane (CID 91484121) is 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane.
What is the SMILES notation for 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane?
The canonical SMILES for 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane is CC.CC(Cc1ccc(CN(C)C)cc1)c1ccccc1-c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane?
The InChIKey is WHDCLLWWTHJDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO.C2H6/c1-20(16-21-8-10-22(11-9-21)19-29(2)3)27-6-4-5-7-28(27)25-13-12-24-18-26(30)15-14-23(24)17-25;1-2/h4-15,17-18,20,30H,16,19H2,1-3H3;1-2H3.
What are the key properties of 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane?
6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane has a molecular weight of 425.62 g/mol, XLogP of 7.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-[4-[(dimethylamino)methyl]phenyl]propan-2-yl]phenyl]naphthalen-2-ol;ethane is sourced from PubChem (CID 91484121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).