1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol

C20H27NO — CID 10851563

IUPAC1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(CCC(c1ccccc1)c1ccccc1)CC(C)(C)O
InChIInChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
InChIKeyMQWDISMNBYOLAB-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.91
Rot. Bonds7

About 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol

1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol (PubChem CID 10851563) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol
PubChem CID10851563
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(CCC(c1ccccc1)c1ccccc1)CC(C)(C)O
InChIInChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
InChIKeyMQWDISMNBYOLAB-UHFFFAOYSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol (CID 10851563) is 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol is CN(CCC(c1ccccc1)c1ccccc1)CC(C)(C)O.
What is the InChIKey of 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol?
The InChIKey is MQWDISMNBYOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3.
What are the key properties of 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol?
1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol has a molecular weight of 297.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 10851563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).