(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride

C19H26ClNO — CID 44723488

IUPAC(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride
SMILESCC(C[NH+](C)C)C(O)(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H25NO.ClH/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17;/h4-13,16,21H,14-15H2,1-3H3;1H
InChIKeyWRHOJMZRFAKSSV-UHFFFAOYSA-N
MW319.88 g/mol
LogP-1.10
Rot. Bonds6

About (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride

(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride (PubChem CID 44723488) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride.

Molecular Properties

Compound Name(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride
PubChem CID44723488
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride
SMILESCC(C[NH+](C)C)C(O)(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H25NO.ClH/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17;/h4-13,16,21H,14-15H2,1-3H3;1H
InChIKeyWRHOJMZRFAKSSV-UHFFFAOYSA-N
XLogP-1.10
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
CID 124808457
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
3-methyl-1,2-diphenyl-4-(1-phenylpropan-2-ylamino)butan-2-ol;oxalate
CID 20978051
2-amino-1-phenylbutane-2,3-diol
CID 175388454
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449
3-methyl-2-phenylpentan-2-ol
CID 13024634
(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride
CID 139176344
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride?
The IUPAC name of (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride (CID 44723488) is (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride.
What is the SMILES notation for (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride?
The canonical SMILES for (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride is CC(C[NH+](C)C)C(O)(Cc1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride?
The InChIKey is WRHOJMZRFAKSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17;/h4-13,16,21H,14-15H2,1-3H3;1H.
What are the key properties of (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride?
(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride has a molecular weight of 319.88 g/mol, XLogP of -1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride is sourced from PubChem (CID 44723488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).