N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine

C33H39N3 — CID 67414377

IUPACN'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
SMILESCN(C)C(c1ccccc1)C(c1ccccc1)N(C)C(c1ccccc1)C(c1ccccc1)N(C)C
InChIInChI=1S/C33H39N3/c1-34(2)30(26-18-10-6-11-19-26)32(28-22-14-8-15-23-28)36(5)33(29-24-16-9-17-25-29)31(35(3)4)27-20-12-7-13-21-27/h6-25,30-33H,1-5H3
InChIKeyJSZMGKMSAZHMSF-UHFFFAOYSA-N
MW477.70 g/mol
LogP7.01
Rot. Bonds10

About N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine

N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine (PubChem CID 67414377) has the molecular formula C33H39N3 and a molecular weight of 477.70 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
PubChem CID67414377
Molecular FormulaC33H39N3
Molecular Weight477.70 g/mol
Exact Mass477.31
IUPAC NameN'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
SMILESCN(C)C(c1ccccc1)C(c1ccccc1)N(C)C(c1ccccc1)C(c1ccccc1)N(C)C
InChIInChI=1S/C33H39N3/c1-34(2)30(26-18-10-6-11-19-26)32(28-22-14-8-15-23-28)36(5)33(29-24-16-9-17-25-29)31(35(3)4)27-20-12-7-13-21-27/h6-25,30-33H,1-5H3
InChIKeyJSZMGKMSAZHMSF-UHFFFAOYSA-N
XLogP7.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.70
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine with MolForge

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Related Compounds

(E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol
CID 135050232
(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 11448338
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
N'-methyl-1,2-diphenyl-N'-propan-2-ylethane-1,2-diamine
CID 43211370
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
CID 172694063
N,N,N',N'-tetrafluoro-1,2-diphenylethane-1,2-diamine
CID 23261782
1-[2-[dimethylamino(phenyl)methyl]phenyl]-N,N-dimethyl-1-phenylmethanamine
CID 139888809
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine
CID 55017229
(1S,2S)-N',N'-dimethyl-1,2-diphenylethane-1,2-diamine;trifluoromethanesulfonic acid
CID 154727552

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine (CID 67414377) is N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine is CN(C)C(c1ccccc1)C(c1ccccc1)N(C)C(c1ccccc1)C(c1ccccc1)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
The InChIKey is JSZMGKMSAZHMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3/c1-34(2)30(26-18-10-6-11-19-26)32(28-22-14-8-15-23-28)36(5)33(29-24-16-9-17-25-29)31(35(3)4)27-20-12-7-13-21-27/h6-25,30-33H,1-5H3.
What are the key properties of N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine has a molecular weight of 477.70 g/mol, XLogP of 7.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 67414377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).