2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine

C15H18N2O3 — CID 18371878

IUPAC2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
SMILESCOc1ccc(-c2cc(N)ccc2N)c(OC)c1OC
InChIInChI=1S/C15H18N2O3/c1-18-13-7-5-10(14(19-2)15(13)20-3)11-8-9(16)4-6-12(11)17/h4-8H,16-17H2,1-3H3
InChIKeyKLEOPEKIUPPLAI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.54
Rot. Bonds4

About 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine

2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine (PubChem CID 18371878) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
PubChem CID18371878
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
SMILESCOc1ccc(-c2cc(N)ccc2N)c(OC)c1OC
InChIInChI=1S/C15H18N2O3/c1-18-13-7-5-10(14(19-2)15(13)20-3)11-8-9(16)4-6-12(11)17/h4-8H,16-17H2,1-3H3
InChIKeyKLEOPEKIUPPLAI-UHFFFAOYSA-N
XLogP2.54
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trimethoxyaniline
CID 15455622
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
2-amino-7-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 72714989
4-(2,5-diaminophenyl)benzene-1,3-diamine
CID 22061935
methyl 2-amino-5-(2,3,4-trimethoxyphenyl)benzoate
CID 82572924
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
CID 106888714
4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
CID 174602053
5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine (CID 18371878) is 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine is COc1ccc(-c2cc(N)ccc2N)c(OC)c1OC.
What is the InChIKey of 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine?
The InChIKey is KLEOPEKIUPPLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-18-13-7-5-10(14(19-2)15(13)20-3)11-8-9(16)4-6-12(11)17/h4-8H,16-17H2,1-3H3.
What are the key properties of 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine?
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 18371878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).