1-N-ethyl-2-methoxybenzene-1,4-diamine

C9H14N2O — CID 23391843

IUPAC1-N-ethyl-2-methoxybenzene-1,4-diamine
SMILESCCNc1ccc(N)cc1OC
InChIInChI=1S/C9H14N2O/c1-3-11-8-5-4-7(10)6-9(8)12-2/h4-6,11H,3,10H2,1-2H3
InChIKeyWQXZLNLWAKSNDJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.71
Rot. Bonds3

About 1-N-ethyl-2-methoxybenzene-1,4-diamine

1-N-ethyl-2-methoxybenzene-1,4-diamine (PubChem CID 23391843) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-N-ethyl-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-methoxybenzene-1,4-diamine
PubChem CID23391843
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-N-ethyl-2-methoxybenzene-1,4-diamine
SMILESCCNc1ccc(N)cc1OC
InChIInChI=1S/C9H14N2O/c1-3-11-8-5-4-7(10)6-9(8)12-2/h4-6,11H,3,10H2,1-2H3
InChIKeyWQXZLNLWAKSNDJ-UHFFFAOYSA-N
XLogP1.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
N-ethyl-2-methoxy-4-methylsulfonylaniline
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N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline
CID 162444147
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide
CID 173476131
2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide
CID 43574894
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
propyl 5-amino-2-(ethylamino)benzoate
CID 100637868
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-2-methoxybenzene-1,4-diamine (CID 23391843) is 1-N-ethyl-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-2-methoxybenzene-1,4-diamine is CCNc1ccc(N)cc1OC.
What is the InChIKey of 1-N-ethyl-2-methoxybenzene-1,4-diamine?
The InChIKey is WQXZLNLWAKSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-11-8-5-4-7(10)6-9(8)12-2/h4-6,11H,3,10H2,1-2H3.
What are the key properties of 1-N-ethyl-2-methoxybenzene-1,4-diamine?
1-N-ethyl-2-methoxybenzene-1,4-diamine has a molecular weight of 166.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 23391843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).