3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol

C26H32N2O — CID 70515525

IUPAC3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
SMILESCN(CCN(C)Cc1ccccc1)CCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O/c1-27(20-21-28(2)22-23-12-6-3-7-13-23)19-18-26(29,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,29H,18-22H2,1-2H3
InChIKeyATAAIGDJBWZZDU-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.38
Rot. Bonds10

About 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol

3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol (PubChem CID 70515525) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
PubChem CID70515525
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
SMILESCN(CCN(C)Cc1ccccc1)CCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O/c1-27(20-21-28(2)22-23-12-6-3-7-13-23)19-18-26(29,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,29H,18-22H2,1-2H3
InChIKeyATAAIGDJBWZZDU-UHFFFAOYSA-N
XLogP4.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 70515941
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 70515875
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
CID 125465888
4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
CID 52997639
4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol
CID 171081655
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine
CID 58570196
3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol
CID 70144042
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol (CID 70515525) is 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol is CN(CCN(C)Cc1ccccc1)CCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol?
The InChIKey is ATAAIGDJBWZZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-27(20-21-28(2)22-23-12-6-3-7-13-23)19-18-26(29,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,29H,18-22H2,1-2H3.
What are the key properties of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol?
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol has a molecular weight of 388.56 g/mol, XLogP of 4.38, 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]-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 70515525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).