3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol

C24H33NO — CID 69338574

IUPAC3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol
SMILESCC(=Cc1ccccc1)C(O)(CCCc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C24H33NO/c1-20(18-23-14-9-6-10-15-23)24(26,21(2)19-25(3)4)17-11-16-22-12-7-5-8-13-22/h5-10,12-15,18,21,26H,11,16-17,19H2,1-4H3
InChIKeyNVNBZLYHSVQNDX-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.04
Rot. Bonds9

About 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol

3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol (PubChem CID 69338574) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol
PubChem CID69338574
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol
SMILESCC(=Cc1ccccc1)C(O)(CCCc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C24H33NO/c1-20(18-23-14-9-6-10-15-23)24(26,21(2)19-25(3)4)17-11-16-22-12-7-5-8-13-22/h5-10,12-15,18,21,26H,11,16-17,19H2,1-4H3
InChIKeyNVNBZLYHSVQNDX-UHFFFAOYSA-N
XLogP5.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol (CID 69338574) is 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol is CC(=Cc1ccccc1)C(O)(CCCc1ccccc1)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol?
The InChIKey is NVNBZLYHSVQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-20(18-23-14-9-6-10-15-23)24(26,21(2)19-25(3)4)17-11-16-22-12-7-5-8-13-22/h5-10,12-15,18,21,26H,11,16-17,19H2,1-4H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol?
3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol has a molecular weight of 351.53 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol is sourced from PubChem (CID 69338574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).