4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol

C19H25NO — CID 4945

IUPAC4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
SMILESCC(CN(C)C)C(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3
InChIKeyINTCGJHAECYOBW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.31
Rot. Bonds6

About 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol

4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol (PubChem CID 4945) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
PubChem CID4945
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
SMILESCC(CN(C)C)C(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3
InChIKeyINTCGJHAECYOBW-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol (CID 4945) is 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol is CC(CN(C)C)C(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
The InChIKey is INTCGJHAECYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3.
What are the key properties of 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol?
4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol is sourced from PubChem (CID 4945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).