4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride

C24H24ClNO — CID 52997639

IUPAC4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
SMILESCN(CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C24H23NO.ClH/c1-25(20-21-12-5-2-6-13-21)19-11-18-24(26,22-14-7-3-8-15-22)23-16-9-4-10-17-23;/h2-10,12-17,26H,19-20H2,1H3;1H
InChIKeyONBGBRKYGRAINR-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.48
Rot. Bonds5

About 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride

4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride (PubChem CID 52997639) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
PubChem CID52997639
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
SMILESCN(CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C24H23NO.ClH/c1-25(20-21-12-5-2-6-13-21)19-11-18-24(26,22-14-7-3-8-15-22)23-16-9-4-10-17-23;/h2-10,12-17,26H,19-20H2,1H3;1H
InChIKeyONBGBRKYGRAINR-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525
1,1-diphenylpent-2-yn-1-ol
CID 155311786
N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
CID 21390504
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 70515941
1,1-diphenylbut-2-yn-1-ol
CID 569279
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
bis(N,N-dimethylformamide);1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol
CID 139195473
N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine
CID 54276593
(1S)-N,N'-dibenzyl-N,N'-dimethyl-1-phenylbut-2-yne-1,4-diamine
CID 155934629
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
CID 125465888
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
The IUPAC name of 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride (CID 52997639) is 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride.
What is the SMILES notation for 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
The canonical SMILES for 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride is CN(CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
The InChIKey is ONBGBRKYGRAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO.ClH/c1-25(20-21-12-5-2-6-13-21)19-11-18-24(26,22-14-7-3-8-15-22)23-16-9-4-10-17-23;/h2-10,12-17,26H,19-20H2,1H3;1H.
What are the key properties of 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride is sourced from PubChem (CID 52997639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).