N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid

C21H28N2O4 — CID 6456297

IUPACN'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid
SMILESCCN(CCN(C)C)Cc1ccc(-c2ccccc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H26N2.C2H2O4/c1-4-21(15-14-20(2)3)16-17-10-12-19(13-11-17)18-8-6-5-7-9-18;3-1(4)2(5)6/h5-13H,4,14-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUFYMERVXJZYNKN-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.89
Rot. Bonds7

About N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid

N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid (PubChem CID 6456297) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid
PubChem CID6456297
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid
SMILESCCN(CCN(C)C)Cc1ccc(-c2ccccc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H26N2.C2H2O4/c1-4-21(15-14-20(2)3)16-17-10-12-19(13-11-17)18-8-6-5-7-9-18;3-1(4)2(5)6/h5-13H,4,14-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUFYMERVXJZYNKN-UHFFFAOYSA-N
XLogP2.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
2-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]phenol;oxalic acid
CID 126468036
N-[4-(diethylaminomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 100516184
N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 782609
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
CID 174946670
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
4-[[2-(dimethylamino)ethyl-(3-phenylpropyl)amino]methyl]benzoic acid
CID 122034298
N'-[(4-chlorophenyl)methyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;oxalic acid
CID 2845951
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid (CID 6456297) is N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid is CCN(CCN(C)C)Cc1ccc(-c2ccccc2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid?
The InChIKey is UFYMERVXJZYNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2.C2H2O4/c1-4-21(15-14-20(2)3)16-17-10-12-19(13-11-17)18-8-6-5-7-9-18;3-1(4)2(5)6/h5-13H,4,14-16H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid?
N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid has a molecular weight of 372.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid is sourced from PubChem (CID 6456297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).