[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol

C21H24N2O — CID 44580866

IUPAC[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H24N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14,21,24H,1-4H3
InChIKeyLGKIMNPFMICWLF-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.05
Rot. Bonds4

About [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol

[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol (PubChem CID 44580866) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
PubChem CID44580866
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H24N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14,21,24H,1-4H3
InChIKeyLGKIMNPFMICWLF-UHFFFAOYSA-N
XLogP4.05
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
CID 118122372
bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol
CID 15890498
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
CID 170874748
methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate
CID 101263579
5-(dimethylamino)-2-[(S)-[4-(dimethylamino)phenyl]-hydroxymethyl]benzenesulfonic acid
CID 124635156
(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
CID 10680871
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol
CID 79595156
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
CID 2327108
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol (CID 44580866) is [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol is CN(C)c1ccc(C(O)c2ccc(N(C)C)c3ccccc23)cc1.
What is the InChIKey of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol?
The InChIKey is LGKIMNPFMICWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14,21,24H,1-4H3.
What are the key properties of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol?
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol has a molecular weight of 320.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 44580866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).