1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol

C20H27NO — CID 21411069

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

About 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol

1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol (PubChem CID 21411069) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol
PubChem CID21411069
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol
SMILESCC(C)N(C)CC(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-16(2)21(3)15-19(22)14-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19-20,22H,14-15H2,1-3H3
InChIKeyQKLWOQZKUGWIKA-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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Related Compounds

3-[methyl(propan-2-yl)amino]-2-phenylpropanethioamide
CID 64535916
1,1-diphenylheptan-3-ol
CID 132530442
1-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045
1,1-diphenyltetradecan-3-ol
CID 102298194
2-methyl-3-[methyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 62611631
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium
CID 157250683
3,3-diphenyl-1-trimethylsilylpropan-1-ol
CID 11196880

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol?
The IUPAC name of 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol (CID 21411069) is 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol.
What is the SMILES notation for 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol?
The canonical SMILES for 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol is CC(C)N(C)CC(O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol?
The InChIKey is QKLWOQZKUGWIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-16(2)21(3)15-19(22)14-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19-20,22H,14-15H2,1-3H3.
What are the key properties of 1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol?
1-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-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-[methyl(propan-2-yl)amino]-4,4-diphenylbutan-2-ol is sourced from PubChem (CID 21411069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).