2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride

C24H28ClNO — CID 117067679

IUPAC2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride
SMILESCN(C)CC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H27NO.ClH/c1-25(2)19-23(18-20-12-6-3-7-13-20)24(26,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,23,26H,18-19H2,1-2H3;1H
InChIKeyCDULBLOBQIFEAK-UHFFFAOYSA-N
MW381.95 g/mol
LogP4.76
Rot. Bonds7

About 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride

2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride (PubChem CID 117067679) has the molecular formula C24H28ClNO and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride
PubChem CID117067679
Molecular FormulaC24H28ClNO
Molecular Weight381.95 g/mol
Exact Mass381.19
IUPAC Name2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride
SMILESCN(C)CC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H27NO.ClH/c1-25(2)19-23(18-20-12-6-3-7-13-20)24(26,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,23,26H,18-19H2,1-2H3;1H
InChIKeyCDULBLOBQIFEAK-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630
(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
3-[2-benzyl-1-(dimethylamino)-3-hydroxypentan-3-yl]phenol;hydrochloride
CID 139941602
(2R,3S)-3-benzyl-4-(dimethylamino)-2-(3-phenylmethoxyphenyl)butan-2-ol;hydrochloride
CID 70009427
(2S,3S)-3-benzyl-4-(dimethylamino)-1,1,1-trifluoro-2-(3-methoxyphenyl)butan-2-ol
CID 70010842
N-(2-benzyl-3-hydroxy-3,3-dipyridin-3-ylpropyl)-N-methylacetamide;butane;ethane
CID 143178492
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
CID 7023047
(2S,3S)-2-benzyl-1-(dimethylamino)-3-(3-methoxyphenyl)hex-5-en-3-ol
CID 70010916
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
CID 70534520

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride (CID 117067679) is 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride is CN(C)CC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride?
The InChIKey is CDULBLOBQIFEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO.ClH/c1-25(2)19-23(18-20-12-6-3-7-13-20)24(26,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,23,26H,18-19H2,1-2H3;1H.
What are the key properties of 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride?
2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 117067679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).