3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine

C24H27NO — CID 19049319

IUPAC3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine
SMILESCc1cc(C)cc(COCC(N)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27NO/c1-18-13-19(2)15-20(14-18)16-26-17-23(25)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,23-24H,16-17,25H2,1-2H3
InChIKeyWWBFKWXDEJRSHS-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.98
Rot. Bonds7

About 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine

3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine (PubChem CID 19049319) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine
PubChem CID19049319
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine
SMILESCc1cc(C)cc(COCC(N)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27NO/c1-18-13-19(2)15-20(14-18)16-26-17-23(25)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,23-24H,16-17,25H2,1-2H3
InChIKeyWWBFKWXDEJRSHS-UHFFFAOYSA-N
XLogP4.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine?
The IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine (CID 19049319) is 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine is Cc1cc(C)cc(COCC(N)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine?
The InChIKey is WWBFKWXDEJRSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-18-13-19(2)15-20(14-18)16-26-17-23(25)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,23-24H,16-17,25H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine?
3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine has a molecular weight of 345.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine is sourced from PubChem (CID 19049319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).