4-(2-methoxyphenyl)aniline;molecular nitrogen

C13H13N3O — CID 70114722

IUPAC4-(2-methoxyphenyl)aniline;molecular nitrogen
SMILESCOc1ccccc1-c1ccc(N)cc1.N#N
InChIInChI=1S/C13H13NO.N2/c1-15-13-5-3-2-4-12(13)10-6-8-11(14)9-7-10;1-2/h2-9H,14H2,1H3;
InChIKeyLUJMZAAXMBLSFO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.97
Rot. Bonds2

About 4-(2-methoxyphenyl)aniline;molecular nitrogen

4-(2-methoxyphenyl)aniline;molecular nitrogen (PubChem CID 70114722) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)aniline;molecular nitrogen.

Molecular Properties

Compound Name4-(2-methoxyphenyl)aniline;molecular nitrogen
PubChem CID70114722
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(2-methoxyphenyl)aniline;molecular nitrogen
SMILESCOc1ccccc1-c1ccc(N)cc1.N#N
InChIInChI=1S/C13H13NO.N2/c1-15-13-5-3-2-4-12(13)10-6-8-11(14)9-7-10;1-2/h2-9H,14H2,1H3;
InChIKeyLUJMZAAXMBLSFO-UHFFFAOYSA-N
XLogP2.97
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
[2-(4-aminophenyl)phenyl] acetate
CID 68788383
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
1-isocyano-4-(2-methoxyphenyl)benzene
CID 59733289
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
4-[4-(2-methoxyphenyl)phenyl]-1,3,5-triazin-2-amine
CID 142791138
2-methoxyaniline;4-methylaniline
CID 159047028
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)aniline;molecular nitrogen?
The IUPAC name of 4-(2-methoxyphenyl)aniline;molecular nitrogen (CID 70114722) is 4-(2-methoxyphenyl)aniline;molecular nitrogen.
What is the SMILES notation for 4-(2-methoxyphenyl)aniline;molecular nitrogen?
The canonical SMILES for 4-(2-methoxyphenyl)aniline;molecular nitrogen is COc1ccccc1-c1ccc(N)cc1.N#N.
What is the InChIKey of 4-(2-methoxyphenyl)aniline;molecular nitrogen?
The InChIKey is LUJMZAAXMBLSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.N2/c1-15-13-5-3-2-4-12(13)10-6-8-11(14)9-7-10;1-2/h2-9H,14H2,1H3;.
What are the key properties of 4-(2-methoxyphenyl)aniline;molecular nitrogen?
4-(2-methoxyphenyl)aniline;molecular nitrogen has a molecular weight of 227.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)aniline;molecular nitrogen is sourced from PubChem (CID 70114722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).