4-amino-2-benzyl-1,4-diphenylbutan-2-ol

C23H25NO — CID 26750

IUPAC4-amino-2-benzyl-1,4-diphenylbutan-2-ol
SMILESNC(CC(O)(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c24-22(21-14-8-3-9-15-21)18-23(25,16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,25H,16-18,24H2
InChIKeyVPXUKOZBHNITOD-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.29
Rot. Bonds7

About 4-amino-2-benzyl-1,4-diphenylbutan-2-ol

4-amino-2-benzyl-1,4-diphenylbutan-2-ol (PubChem CID 26750) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-amino-2-benzyl-1,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name4-amino-2-benzyl-1,4-diphenylbutan-2-ol
PubChem CID26750
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name4-amino-2-benzyl-1,4-diphenylbutan-2-ol
SMILESNC(CC(O)(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c24-22(21-14-8-3-9-15-21)18-23(25,16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,25H,16-18,24H2
InChIKeyVPXUKOZBHNITOD-UHFFFAOYSA-N
XLogP4.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 108472
(S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol
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1-Benzhydryl-4-benzylpiperidin-4-ol
CID 44430028
3,4,5-Trimethyl-2,6-diphenylpiperidin-4-ol
CID 3142092
4-Amino-2-methyl-4-phenylbutan-2-ol
CID 26748
Hexapradol
CID 219120
2-Amino-1,1,3-triphenylpropan-1-ol
CID 4250937
3-Amino-1,4-diphenyl-butan-2-ol
CID 10331928
1-Propanol, 3-amino-1,1,3-triphenyl-
CID 120810
1-Propanol, 3-(ethylamino)-1,1,3-triphenyl-
CID 202880
3-(Benzylamino)-2-methyl-1,1-diphenylpropan-1-ol
CID 3060408
4-Piperidinol, 2,3,6-triphenyl-
CID 3079038

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzyl-1,4-diphenylbutan-2-ol?
The IUPAC name of 4-amino-2-benzyl-1,4-diphenylbutan-2-ol (CID 26750) is 4-amino-2-benzyl-1,4-diphenylbutan-2-ol.
What is the SMILES notation for 4-amino-2-benzyl-1,4-diphenylbutan-2-ol?
The canonical SMILES for 4-amino-2-benzyl-1,4-diphenylbutan-2-ol is NC(CC(O)(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-2-benzyl-1,4-diphenylbutan-2-ol?
The InChIKey is VPXUKOZBHNITOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c24-22(21-14-8-3-9-15-21)18-23(25,16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,25H,16-18,24H2.
What are the key properties of 4-amino-2-benzyl-1,4-diphenylbutan-2-ol?
4-amino-2-benzyl-1,4-diphenylbutan-2-ol has a molecular weight of 331.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzyl-1,4-diphenylbutan-2-ol is sourced from PubChem (CID 26750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).