3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol

C28H36N2O2 — CID 70515875

IUPAC3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(CCN(C)CCN(C)Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H36N2O2/c1-23-10-12-25(13-11-23)28(31,26-14-16-27(32-4)17-15-26)18-19-29(2)20-21-30(3)22-24-8-6-5-7-9-24/h5-17,31H,18-22H2,1-4H3
InChIKeyZEGGQGGBFZPYIZ-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.69
Rot. Bonds11

About 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol

3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol (PubChem CID 70515875) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
PubChem CID70515875
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(CCN(C)CCN(C)Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H36N2O2/c1-23-10-12-25(13-11-23)28(31,26-14-16-27(32-4)17-15-26)18-19-29(2)20-21-30(3)22-24-8-6-5-7-9-24/h5-17,31H,18-22H2,1-4H3
InChIKeyZEGGQGGBFZPYIZ-UHFFFAOYSA-N
XLogP4.69
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-chlorophenyl)-1-phenylpropan-1-ol
CID 70515941
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
CID 54566866
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol
CID 70144042
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 134112226
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
CID 14909645
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
CID 15883905
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol (CID 70515875) is 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol is COc1ccc(C(O)(CCN(C)CCN(C)Cc2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is ZEGGQGGBFZPYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-23-10-12-25(13-11-23)28(31,26-14-16-27(32-4)17-15-26)18-19-29(2)20-21-30(3)22-24-8-6-5-7-9-24/h5-17,31H,18-22H2,1-4H3.
What are the key properties of 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol?
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 432.61 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 70515875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).