3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine

C17H22N4O5 — CID 174278875

IUPAC3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine
SMILESCNc1c(NC)c(OC)c(Oc2ccc([N+](=O)[O-])cc2)c(NC)c1OC
InChIInChI=1S/C17H22N4O5/c1-18-12-13(19-2)16(25-5)17(14(20-3)15(12)24-4)26-11-8-6-10(7-9-11)21(22)23/h6-9,18-20H,1-5H3
InChIKeySAIQMZUWFWEENS-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.53
Rot. Bonds8

About 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine

3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine (PubChem CID 174278875) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine.

Molecular Properties

Compound Name3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine
PubChem CID174278875
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine
SMILESCNc1c(NC)c(OC)c(Oc2ccc([N+](=O)[O-])cc2)c(NC)c1OC
InChIInChI=1S/C17H22N4O5/c1-18-12-13(19-2)16(25-5)17(14(20-3)15(12)24-4)26-11-8-6-10(7-9-11)21(22)23/h6-9,18-20H,1-5H3
InChIKeySAIQMZUWFWEENS-UHFFFAOYSA-N
XLogP3.53
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol
CID 166787691
4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80871960
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
3-methoxy-4-(4-nitroanilino)cyclobut-3-ene-1,2-dione
CID 87433363
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
N-methyl-1-(4-nitrophenoxy)methanamine
CID 58708535
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine?
The IUPAC name of 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine (CID 174278875) is 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine.
What is the SMILES notation for 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine?
The canonical SMILES for 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine is CNc1c(NC)c(OC)c(Oc2ccc([N+](=O)[O-])cc2)c(NC)c1OC.
What is the InChIKey of 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine?
The InChIKey is SAIQMZUWFWEENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-18-12-13(19-2)16(25-5)17(14(20-3)15(12)24-4)26-11-8-6-10(7-9-11)21(22)23/h6-9,18-20H,1-5H3.
What are the key properties of 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine?
3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine has a molecular weight of 362.39 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine is sourced from PubChem (CID 174278875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).