4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine

C15H18N2O4 — CID 106748558

IUPAC4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine
SMILESCOc1cc(Oc2ccc(N)c(N)c2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-18-13-7-10(8-14(19-2)15(13)20-3)21-9-4-5-11(16)12(17)6-9/h4-8H,16-17H2,1-3H3
InChIKeyANFIKPYISOOOCA-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.67
Rot. Bonds5

About 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine

4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine (PubChem CID 106748558) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine
PubChem CID106748558
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine
SMILESCOc1cc(Oc2ccc(N)c(N)c2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-18-13-7-10(8-14(19-2)15(13)20-3)21-9-4-5-11(16)12(17)6-9/h4-8H,16-17H2,1-3H3
InChIKeyANFIKPYISOOOCA-UHFFFAOYSA-N
XLogP2.67
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4,5-trimethoxyphenoxy)aniline
CID 11173411
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
5-(4-ethenylphenoxy)-1,2,3-trimethoxybenzene
CID 130377348
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine?
The IUPAC name of 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine (CID 106748558) is 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine?
The canonical SMILES for 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine is COc1cc(Oc2ccc(N)c(N)c2)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine?
The InChIKey is ANFIKPYISOOOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-18-13-7-10(8-14(19-2)15(13)20-3)21-9-4-5-11(16)12(17)6-9/h4-8H,16-17H2,1-3H3.
What are the key properties of 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine?
4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine has a molecular weight of 290.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenoxy)benzene-1,2-diamine is sourced from PubChem (CID 106748558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).