bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde

C27H35N3O2 — CID 143118535

IUPACbis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde
SMILESCN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1.Cc1ccc(N(C)C)cc1C=O
InChIInChI=1S/C17H22N2O.C10H13NO/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4;1-8-4-5-10(11(2)3)6-9(8)7-12/h5-12,17,20H,1-4H3;4-7H,1-3H3
InChIKeyJNILXJPLVGIVIC-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.77
Rot. Bonds6

About bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde

bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde (PubChem CID 143118535) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde
PubChem CID143118535
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Namebis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde
SMILESCN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1.Cc1ccc(N(C)C)cc1C=O
InChIInChI=1S/C17H22N2O.C10H13NO/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4;1-8-4-5-10(11(2)3)6-9(8)7-12/h5-12,17,20H,1-4H3;4-7H,1-3H3
InChIKeyJNILXJPLVGIVIC-UHFFFAOYSA-N
XLogP4.77
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde?
The IUPAC name of bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde (CID 143118535) is bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde?
The canonical SMILES for bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde is CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1.Cc1ccc(N(C)C)cc1C=O.
What is the InChIKey of bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde?
The InChIKey is JNILXJPLVGIVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C10H13NO/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4;1-8-4-5-10(11(2)3)6-9(8)7-12/h5-12,17,20H,1-4H3;4-7H,1-3H3.
What are the key properties of bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde?
bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde has a molecular weight of 433.60 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde is sourced from PubChem (CID 143118535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).