6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol

C19H19NO — CID 50959857

IUPAC6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol
SMILESCN(C)Cc1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C19H19NO/c1-20(2)13-14-3-5-15(6-4-14)16-7-8-18-12-19(21)10-9-17(18)11-16/h3-12,21H,13H2,1-2H3
InChIKeyHAUIBUCZPBEPEL-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.27
Rot. Bonds3

About 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol

6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol (PubChem CID 50959857) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol
PubChem CID50959857
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol
SMILESCN(C)Cc1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C19H19NO/c1-20(2)13-14-3-5-15(6-4-14)16-7-8-18-12-19(21)10-9-17(18)11-16/h3-12,21H,13H2,1-2H3
InChIKeyHAUIBUCZPBEPEL-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol?
The IUPAC name of 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol (CID 50959857) is 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol is CN(C)Cc1ccc(-c2ccc3cc(O)ccc3c2)cc1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol?
The InChIKey is HAUIBUCZPBEPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-20(2)13-14-3-5-15(6-4-14)16-7-8-18-12-19(21)10-9-17(18)11-16/h3-12,21H,13H2,1-2H3.
What are the key properties of 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol?
6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol has a molecular weight of 277.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol is sourced from PubChem (CID 50959857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).