6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride

C21H30ClNO — CID 3028592

IUPAC6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride
SMILESCN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-21(23,15-10-16-22(2)3)20(19-13-8-5-9-14-19)17-18-11-6-4-7-12-18;/h4-9,11-14,20,23H,10,15-17H2,1-3H3;1H
InChIKeyGVYDIQZBIPMWAL-UHFFFAOYSA-N
MW347.93 g/mol
LogP4.53
Rot. Bonds8

About 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride

6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride (PubChem CID 3028592) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride
PubChem CID3028592
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride
SMILESCN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-21(23,15-10-16-22(2)3)20(19-13-8-5-9-14-19)17-18-11-6-4-7-12-18;/h4-9,11-14,20,23H,10,15-17H2,1-3H3;1H
InChIKeyGVYDIQZBIPMWAL-UHFFFAOYSA-N
XLogP4.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride?
The IUPAC name of 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride (CID 3028592) is 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride.
What is the SMILES notation for 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride?
The canonical SMILES for 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride is CN(C)CCCC(C)(O)C(Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride?
The InChIKey is GVYDIQZBIPMWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO.ClH/c1-21(23,15-10-16-22(2)3)20(19-13-8-5-9-14-19)17-18-11-6-4-7-12-18;/h4-9,11-14,20,23H,10,15-17H2,1-3H3;1H.
What are the key properties of 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride?
6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-methyl-1,2-diphenylhexan-3-ol;hydrochloride is sourced from PubChem (CID 3028592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).