[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol

C23H29N3O — CID 54753234

IUPAC[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccccc1C(O)c1ccc2cccc(N(C)C)c2c1N(C)C
InChIInChI=1S/C23H29N3O/c1-24(2)19-12-8-7-11-17(19)23(27)18-15-14-16-10-9-13-20(25(3)4)21(16)22(18)26(5)6/h7-15,23,27H,1-6H3
InChIKeyPBCSCUJLUJOLEE-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.12
Rot. Bonds5

About [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol

[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol (PubChem CID 54753234) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
PubChem CID54753234
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccccc1C(O)c1ccc2cccc(N(C)C)c2c1N(C)C
InChIInChI=1S/C23H29N3O/c1-24(2)19-12-8-7-11-17(19)23(27)18-15-14-16-10-9-13-20(25(3)4)21(16)22(18)26(5)6/h7-15,23,27H,1-6H3
InChIKeyPBCSCUJLUJOLEE-UHFFFAOYSA-N
XLogP4.12
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol?
The IUPAC name of [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol (CID 54753234) is [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol.
What is the SMILES notation for [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol?
The canonical SMILES for [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol is CN(C)c1ccccc1C(O)c1ccc2cccc(N(C)C)c2c1N(C)C.
What is the InChIKey of [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol?
The InChIKey is PBCSCUJLUJOLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-24(2)19-12-8-7-11-17(19)23(27)18-15-14-16-10-9-13-20(25(3)4)21(16)22(18)26(5)6/h7-15,23,27H,1-6H3.
What are the key properties of [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol?
[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol has a molecular weight of 363.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 54753234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).