N,4-dimethoxyaniline

C8H11NO2 — CID 23340556

IUPACN,4-dimethoxyaniline
SMILESCONc1ccc(OC)cc1
InChIInChI=1S/C8H11NO2/c1-10-8-5-3-7(4-6-8)9-11-2/h3-6,9H,1-2H3
InChIKeyVPMMBIVVTNEZLS-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.67
Rot. Bonds3

About N,4-dimethoxyaniline

N,4-dimethoxyaniline (PubChem CID 23340556) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N,4-dimethoxyaniline.

Molecular Properties

Compound NameN,4-dimethoxyaniline
PubChem CID23340556
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN,4-dimethoxyaniline
SMILESCONc1ccc(OC)cc1
InChIInChI=1S/C8H11NO2/c1-10-8-5-3-7(4-6-8)9-11-2/h3-6,9H,1-2H3
InChIKeyVPMMBIVVTNEZLS-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-methoxy-1-N-methylbenzene-1,4-diamine
CID 87142473
1-methoxy-4-[2-(4-methoxyanilino)hydrazinyl]benzene
CID 163682432
4-chloro-N-methoxyaniline
CID 10397071
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(4-methoxyanilino) 2,2,2-trifluoroacetate
CID 87301067
benzene;N-methoxyaniline
CID 159505017
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
4-methoxy-N-methylsulfanylaniline
CID 123820193
(4-methoxyanilino) thiohypofluorite
CID 175225532
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374

Frequently Asked Questions

What is the IUPAC name of N,4-dimethoxyaniline?
The IUPAC name of N,4-dimethoxyaniline (CID 23340556) is N,4-dimethoxyaniline.
What is the SMILES notation for N,4-dimethoxyaniline?
The canonical SMILES for N,4-dimethoxyaniline is CONc1ccc(OC)cc1.
What is the InChIKey of N,4-dimethoxyaniline?
The InChIKey is VPMMBIVVTNEZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-10-8-5-3-7(4-6-8)9-11-2/h3-6,9H,1-2H3.
What are the key properties of N,4-dimethoxyaniline?
N,4-dimethoxyaniline has a molecular weight of 153.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethoxyaniline is sourced from PubChem (CID 23340556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).