4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole

C15H18N6O2 — CID 175609219

IUPAC4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
SMILESC1N=NN=N1.COc1cc(-c2ccc(N)c(OC)c2)ccc1N
InChIInChI=1S/C14H16N2O2.CH2N4/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-2-4-5-3-1/h3-8H,15-16H2,1-2H3;1H2
InChIKeyBRBJQTMXEQGVBN-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.31
Rot. Bonds3

About 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole (PubChem CID 175609219) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole.

Molecular Properties

Compound Name4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
PubChem CID175609219
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
SMILESC1N=NN=N1.COc1cc(-c2ccc(N)c(OC)c2)ccc1N
InChIInChI=1S/C14H16N2O2.CH2N4/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-2-4-5-3-1/h3-8H,15-16H2,1-2H3;1H2
InChIKeyBRBJQTMXEQGVBN-UHFFFAOYSA-N
XLogP3.31
TPSA119.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium
CID 58689931
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine
CID 70518337
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
CID 134456084
2-methoxy-4-(1,3-oxazol-2-yl)aniline
CID 82468773
4-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-2-methoxyaniline
CID 142742086
2-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469941
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole?
The IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole (CID 175609219) is 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole.
What is the SMILES notation for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole?
The canonical SMILES for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole is C1N=NN=N1.COc1cc(-c2ccc(N)c(OC)c2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole?
The InChIKey is BRBJQTMXEQGVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.CH2N4/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-2-4-5-3-1/h3-8H,15-16H2,1-2H3;1H2.
What are the key properties of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole?
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole has a molecular weight of 314.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole is sourced from PubChem (CID 175609219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).