2-[1-(dimethylamino)ethoxy]-4-methoxyaniline

C11H18N2O2 — CID 18980088

IUPAC2-[1-(dimethylamino)ethoxy]-4-methoxyaniline
SMILESCOc1ccc(N)c(OC(C)N(C)C)c1
InChIInChI=1S/C11H18N2O2/c1-8(13(2)3)15-11-7-9(14-4)5-6-10(11)12/h5-8H,12H2,1-4H3
InChIKeyPTGIVBYNTUZRSK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.56
Rot. Bonds4

About 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline

2-[1-(dimethylamino)ethoxy]-4-methoxyaniline (PubChem CID 18980088) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethoxy]-4-methoxyaniline
PubChem CID18980088
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[1-(dimethylamino)ethoxy]-4-methoxyaniline
SMILESCOc1ccc(N)c(OC(C)N(C)C)c1
InChIInChI=1S/C11H18N2O2/c1-8(13(2)3)15-11-7-9(14-4)5-6-10(11)12/h5-8H,12H2,1-4H3
InChIKeyPTGIVBYNTUZRSK-UHFFFAOYSA-N
XLogP1.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 102702350
2-(2-amino-5-methoxyphenoxy)-N-tert-butylpropanamide
CID 102702269
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 113305256
(2-amino-5-methoxyphenyl) dihydrogen phosphate
CID 123556762
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide
CID 141243287
2,4-dimethoxyaniline;3-oxobutanoic acid
CID 70522246
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline?
The IUPAC name of 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline (CID 18980088) is 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline.
What is the SMILES notation for 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline?
The canonical SMILES for 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline is COc1ccc(N)c(OC(C)N(C)C)c1.
What is the InChIKey of 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline?
The InChIKey is PTGIVBYNTUZRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(13(2)3)15-11-7-9(14-4)5-6-10(11)12/h5-8H,12H2,1-4H3.
What are the key properties of 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline?
2-[1-(dimethylamino)ethoxy]-4-methoxyaniline has a molecular weight of 210.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethoxy]-4-methoxyaniline is sourced from PubChem (CID 18980088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).