2,5-dimethoxyaniline;molecular hydrogen

C8H13NO2 — CID 159599481

IUPAC2,5-dimethoxyaniline;molecular hydrogen
SMILESCOc1ccc(OC)c(N)c1.[H][H]
InChIInChI=1S/C8H11NO2.H2/c1-10-6-3-4-8(11-2)7(9)5-6;/h3-5H,9H2,1-2H3;1H
InChIKeyMLGZVGSAJKTSIN-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.53
Rot. Bonds2

About 2,5-dimethoxyaniline;molecular hydrogen

2,5-dimethoxyaniline;molecular hydrogen (PubChem CID 159599481) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,5-dimethoxyaniline;molecular hydrogen.

Molecular Properties

Compound Name2,5-dimethoxyaniline;molecular hydrogen
PubChem CID159599481
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,5-dimethoxyaniline;molecular hydrogen
SMILESCOc1ccc(OC)c(N)c1.[H][H]
InChIInChI=1S/C8H11NO2.H2/c1-10-6-3-4-8(11-2)7(9)5-6;/h3-5H,9H2,1-2H3;1H
InChIKeyMLGZVGSAJKTSIN-UHFFFAOYSA-N
XLogP1.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2,5-dimethoxyaniline;3-(trifluoromethyl)aniline
CID 159455621
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
CID 166073807
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxyaniline;molecular hydrogen?
The IUPAC name of 2,5-dimethoxyaniline;molecular hydrogen (CID 159599481) is 2,5-dimethoxyaniline;molecular hydrogen.
What is the SMILES notation for 2,5-dimethoxyaniline;molecular hydrogen?
The canonical SMILES for 2,5-dimethoxyaniline;molecular hydrogen is COc1ccc(OC)c(N)c1.[H][H].
What is the InChIKey of 2,5-dimethoxyaniline;molecular hydrogen?
The InChIKey is MLGZVGSAJKTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.H2/c1-10-6-3-4-8(11-2)7(9)5-6;/h3-5H,9H2,1-2H3;1H.
What are the key properties of 2,5-dimethoxyaniline;molecular hydrogen?
2,5-dimethoxyaniline;molecular hydrogen has a molecular weight of 155.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxyaniline;molecular hydrogen is sourced from PubChem (CID 159599481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).