(3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol

C23H25BrN2O — CID 171384477

IUPAC(3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C23H25BrN2O/c1-25(2)21-12-8-17(9-13-21)23(27,19-6-5-7-20(24)16-19)18-10-14-22(15-11-18)26(3)4/h5-16,27H,1-4H3
InChIKeyQKWMSUKXRWOBRU-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.87
Rot. Bonds5

About (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol

(3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol (PubChem CID 171384477) has the molecular formula C23H25BrN2O and a molecular weight of 425.37 g/mol. Its IUPAC name is (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol
PubChem CID171384477
Molecular FormulaC23H25BrN2O
Molecular Weight425.37 g/mol
Exact Mass424.12
IUPAC Name(3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C23H25BrN2O/c1-25(2)21-12-8-17(9-13-21)23(27,19-6-5-7-20(24)16-19)18-10-14-22(15-11-18)26(3)4/h5-16,27H,1-4H3
InChIKeyQKWMSUKXRWOBRU-UHFFFAOYSA-N
XLogP4.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.87
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol?
The IUPAC name of (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol (CID 171384477) is (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol is CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2cccc(Br)c2)cc1.
What is the InChIKey of (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol?
The InChIKey is QKWMSUKXRWOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O/c1-25(2)21-12-8-17(9-13-21)23(27,19-6-5-7-20(24)16-19)18-10-14-22(15-11-18)26(3)4/h5-16,27H,1-4H3.
What are the key properties of (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol?
(3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol has a molecular weight of 425.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-bis[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 171384477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).