N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine

C32H36N2 — CID 139633407

IUPACN,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
SMILESCCc1ccc(CNC(c2ccccc2)C(NCc2ccc(CC)cc2)c2ccccc2)cc1
InChIInChI=1S/C32H36N2/c1-3-25-15-19-27(20-16-25)23-33-31(29-11-7-5-8-12-29)32(30-13-9-6-10-14-30)34-24-28-21-17-26(4-2)18-22-28/h5-22,31-34H,3-4,23-24H2,1-2H3
InChIKeyXYDFEJRDWGWUSG-UHFFFAOYSA-N
MW448.65 g/mol
LogP7.17
Rot. Bonds11

About N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine

N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine (PubChem CID 139633407) has the molecular formula C32H36N2 and a molecular weight of 448.65 g/mol. Its IUPAC name is N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
PubChem CID139633407
Molecular FormulaC32H36N2
Molecular Weight448.65 g/mol
Exact Mass448.29
IUPAC NameN,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
SMILESCCc1ccc(CNC(c2ccccc2)C(NCc2ccc(CC)cc2)c2ccccc2)cc1
InChIInChI=1S/C32H36N2/c1-3-25-15-19-27(20-16-25)23-33-31(29-11-7-5-8-12-29)32(30-13-9-6-10-14-30)34-24-28-21-17-26(4-2)18-22-28/h5-22,31-34H,3-4,23-24H2,1-2H3
InChIKeyXYDFEJRDWGWUSG-UHFFFAOYSA-N
XLogP7.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
4-[(benzylamino)-phenylmethyl]heptane-3,5-dione
CID 102397500
N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine
CID 176994926
2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
CID 43103836
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
CID 101491741

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The IUPAC name of N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine (CID 139633407) is N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine is CCc1ccc(CNC(c2ccccc2)C(NCc2ccc(CC)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The InChIKey is XYDFEJRDWGWUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2/c1-3-25-15-19-27(20-16-25)23-33-31(29-11-7-5-8-12-29)32(30-13-9-6-10-14-30)34-24-28-21-17-26(4-2)18-22-28/h5-22,31-34H,3-4,23-24H2,1-2H3.
What are the key properties of N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine has a molecular weight of 448.65 g/mol, XLogP of 7.17, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 139633407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).