(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol

C21H29NO — CID 56859290

IUPAC(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(N[C@H](CO)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-16(22-19(15-23)21(2,3)4)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,22-23H,15H2,1-4H3/t16?,19-/m1/s1
InChIKeyVLKWGOXIAOBZPJ-LRTDYKAYSA-N
MW311.47 g/mol
LogP4.20
Rot. Bonds6

About (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol

(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol (PubChem CID 56859290) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol
PubChem CID56859290
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(N[C@H](CO)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-16(22-19(15-23)21(2,3)4)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,22-23H,15H2,1-4H3/t16?,19-/m1/s1
InChIKeyVLKWGOXIAOBZPJ-LRTDYKAYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol (CID 56859290) is (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol is CC(N[C@H](CO)C(C)(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is VLKWGOXIAOBZPJ-LRTDYKAYSA-N. The full InChI is InChI=1S/C21H29NO/c1-16(22-19(15-23)21(2,3)4)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,22-23H,15H2,1-4H3/t16?,19-/m1/s1.
What are the key properties of (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol?
(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 56859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).