2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline

C23H33N5O4 — CID 169183184

IUPAC2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
SMILESCC.COc1cc(N)c(OC)cc1N.Cc1ccc(N)cc1.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H12N2O2.C7H9N.C6H6N2O2.C2H6/c1-11-7-3-6(10)8(12-2)4-5(7)9;1-6-2-4-7(8)5-3-6;7-5-1-3-6(4-2-5)8(9)10;1-2/h3-4H,9-10H2,1-2H3;2-5H,8H2,1H3;1-4H,7H2;1-2H3
InChIKeyFKELYEFBQCRQDX-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.65
Rot. Bonds3

About 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline

2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline (PubChem CID 169183184) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline.

Molecular Properties

Compound Name2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
PubChem CID169183184
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Name2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
SMILESCC.COc1cc(N)c(OC)cc1N.Cc1ccc(N)cc1.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H12N2O2.C7H9N.C6H6N2O2.C2H6/c1-11-7-3-6(10)8(12-2)4-5(7)9;1-6-2-4-7(8)5-3-6;7-5-1-3-6(4-2-5)8(9)10;1-2/h3-4H,9-10H2,1-2H3;2-5H,8H2,1H3;1-4H,7H2;1-2H3
InChIKeyFKELYEFBQCRQDX-UHFFFAOYSA-N
XLogP4.65
TPSA165.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

iodomethane;4-methylaniline;bis(1-methyl-4-nitrobenzene)
CID 160667909
aniline;2-methoxy-4-nitroaniline
CID 154966148
4-N-ethyl-2-methoxy-4-N-methylbenzene-1,4-diamine;4-nitroaniline
CID 156810686
methanamine;4-nitroaniline
CID 22708932
6-(4-amino-N-methylanilino)hexan-3-one;2,5-dimethoxybenzene-1,4-diamine;ethane;4-nitroaniline
CID 168924826
4-[(4-amino-3-methoxyphenyl)-(4-nitrophenyl)methyl]-2-methoxyaniline
CID 71480758
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
ethane;2-methoxy-4-methyl-5-nitroaniline
CID 145393912
3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline
CID 178094722
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
sodium;hydride;4-nitroaniline
CID 174897540
methane;1,3,5-trimethyl-2-(4-nitrophenyl)benzene;4-(2,4,6-trimethylphenyl)aniline;hydrochloride
CID 159571615

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline?
The IUPAC name of 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline (CID 169183184) is 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline.
What is the SMILES notation for 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline?
The canonical SMILES for 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline is CC.COc1cc(N)c(OC)cc1N.Cc1ccc(N)cc1.Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline?
The InChIKey is FKELYEFBQCRQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C7H9N.C6H6N2O2.C2H6/c1-11-7-3-6(10)8(12-2)4-5(7)9;1-6-2-4-7(8)5-3-6;7-5-1-3-6(4-2-5)8(9)10;1-2/h3-4H,9-10H2,1-2H3;2-5H,8H2,1H3;1-4H,7H2;1-2H3.
What are the key properties of 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline?
2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline has a molecular weight of 443.55 g/mol, XLogP of 4.65, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline is sourced from PubChem (CID 169183184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).