6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride

C16H28ClNO — CID 15945630

IUPAC6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride
SMILESCN(C)CCCC(C)(O)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-15(2,14-10-7-6-8-11-14)16(3,18)12-9-13-17(4)5;/h6-8,10-11,18H,9,12-13H2,1-5H3;1H
InChIKeyYKUOYWQKOWVDIO-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.48
Rot. Bonds6

About 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride

6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride (PubChem CID 15945630) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride
PubChem CID15945630
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride
SMILESCN(C)CCCC(C)(O)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-15(2,14-10-7-6-8-11-14)16(3,18)12-9-13-17(4)5;/h6-8,10-11,18H,9,12-13H2,1-5H3;1H
InChIKeyYKUOYWQKOWVDIO-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride?
The IUPAC name of 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride (CID 15945630) is 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride.
What is the SMILES notation for 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride?
The canonical SMILES for 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride is CN(C)CCCC(C)(O)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride?
The InChIKey is YKUOYWQKOWVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-15(2,14-10-7-6-8-11-14)16(3,18)12-9-13-17(4)5;/h6-8,10-11,18H,9,12-13H2,1-5H3;1H.
What are the key properties of 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride?
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride is sourced from PubChem (CID 15945630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).