1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine

C34H40N2 — CID 139633406

IUPAC1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cc(C)c(CNC(c2ccccc2)C(NCc2cc(C)c(C)cc2C)c2ccccc2)cc1C
InChIInChI=1S/C34H40N2/c1-23-17-27(5)31(19-25(23)3)21-35-33(29-13-9-7-10-14-29)34(30-15-11-8-12-16-30)36-22-32-20-26(4)24(2)18-28(32)6/h7-20,33-36H,21-22H2,1-6H3
InChIKeyUWHHUGYABKMLFK-UHFFFAOYSA-N
MW476.71 g/mol
LogP7.90
Rot. Bonds9

About 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine

1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 139633406) has the molecular formula C34H40N2 and a molecular weight of 476.71 g/mol. Its IUPAC name is 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID139633406
Molecular FormulaC34H40N2
Molecular Weight476.71 g/mol
Exact Mass476.32
IUPAC Name1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cc(C)c(CNC(c2ccccc2)C(NCc2cc(C)c(C)cc2C)c2ccccc2)cc1C
InChIInChI=1S/C34H40N2/c1-23-17-27(5)31(19-25(23)3)21-35-33(29-13-9-7-10-14-29)34(30-15-11-8-12-16-30)36-22-32-20-26(4)24(2)18-28(32)6/h7-20,33-36H,21-22H2,1-6H3
InChIKeyUWHHUGYABKMLFK-UHFFFAOYSA-N
XLogP7.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81352293
(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 111448648
1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43221514
2-[[[(1R,2R)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-1,2-diphenylethyl]amino]methyl]-4-phenylphenol
CID 102469425
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine (CID 139633406) is 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine is Cc1cc(C)c(CNC(c2ccccc2)C(NCc2cc(C)c(C)cc2C)c2ccccc2)cc1C.
What is the InChIKey of 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is UWHHUGYABKMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2/c1-23-17-27(5)31(19-25(23)3)21-35-33(29-13-9-7-10-14-29)34(30-15-11-8-12-16-30)36-22-32-20-26(4)24(2)18-28(32)6/h7-20,33-36H,21-22H2,1-6H3.
What are the key properties of 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 476.71 g/mol, XLogP of 7.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 139633406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).