4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene

C20H22N2O2 — CID 157477717

IUPAC4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
SMILESCOc1cc(-c2ccc(N)c(OC)c2)ccc1N.c1ccccc1
InChIInChI=1S/C14H16N2O2.C6H6/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-2-4-6-5-3-1/h3-8H,15-16H2,1-2H3;1-6H
InChIKeyBVUGVABZFPUCSW-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.22
Rot. Bonds3

About 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene (PubChem CID 157477717) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene.

Molecular Properties

Compound Name4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
PubChem CID157477717
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
SMILESCOc1cc(-c2ccc(N)c(OC)c2)ccc1N.c1ccccc1
InChIInChI=1S/C14H16N2O2.C6H6/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-2-4-6-5-3-1/h3-8H,15-16H2,1-2H3;1-6H
InChIKeyBVUGVABZFPUCSW-UHFFFAOYSA-N
XLogP4.22
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
CID 175609219
4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium
CID 58689931
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine
CID 70518337
4-(2,3-dichlorophenyl)-2-methoxyaniline
CID 164513718
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
CID 123653070
CID 123653070
4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;2-methoxy-3-oxo-N-phenylbutanamide
CID 21329642
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene?
The IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene (CID 157477717) is 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene.
What is the SMILES notation for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene?
The canonical SMILES for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene is COc1cc(-c2ccc(N)c(OC)c2)ccc1N.c1ccccc1.
What is the InChIKey of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene?
The InChIKey is BVUGVABZFPUCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C6H6/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-2-4-6-5-3-1/h3-8H,15-16H2,1-2H3;1-6H.
What are the key properties of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene?
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene has a molecular weight of 322.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene is sourced from PubChem (CID 157477717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).