3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol

C26H31ClN2O — CID 70515941

IUPAC3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
SMILESCN(CCN(C)Cc1ccccc1)CCC(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN2O/c1-28(19-20-29(2)21-22-9-5-3-6-10-22)18-17-26(30,23-11-7-4-8-12-23)24-13-15-25(27)16-14-24/h3-16,30H,17-21H2,1-2H3
InChIKeyRJPHFQQMYLKFNZ-UHFFFAOYSA-N
MW423.00 g/mol
LogP5.03
Rot. Bonds10

About 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol

3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol (PubChem CID 70515941) has the molecular formula C26H31ClN2O and a molecular weight of 423.00 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
PubChem CID70515941
Molecular FormulaC26H31ClN2O
Molecular Weight423.00 g/mol
Exact Mass422.21
IUPAC Name3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
SMILESCN(CCN(C)Cc1ccccc1)CCC(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN2O/c1-28(19-20-29(2)21-22-9-5-3-6-10-22)18-17-26(30,23-11-7-4-8-12-23)24-13-15-25(27)16-14-24/h3-16,30H,17-21H2,1-2H3
InChIKeyRJPHFQQMYLKFNZ-UHFFFAOYSA-N
XLogP5.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 70515875
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
CID 52946911
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
CID 52997639
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
CID 125465888
N-[4-[benzyl(methyl)amino]but-2-ynyl]-4-chlorobenzamide
CID 71792872
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol (CID 70515941) is 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol is CN(CCN(C)Cc1ccccc1)CCC(O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol?
The InChIKey is RJPHFQQMYLKFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O/c1-28(19-20-29(2)21-22-9-5-3-6-10-22)18-17-26(30,23-11-7-4-8-12-23)24-13-15-25(27)16-14-24/h3-16,30H,17-21H2,1-2H3.
What are the key properties of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol?
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol has a molecular weight of 423.00 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 70515941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).