4-[2-(diethylamino)ethyl]-2-methoxyaniline

C13H22N2O — CID 89182820

IUPAC4-[2-(diethylamino)ethyl]-2-methoxyaniline
SMILESCCN(CC)CCc1ccc(N)c(OC)c1
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)9-8-11-6-7-12(14)13(10-11)16-3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeySBZPMAVHLINOEH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.16
Rot. Bonds6

About 4-[2-(diethylamino)ethyl]-2-methoxyaniline

4-[2-(diethylamino)ethyl]-2-methoxyaniline (PubChem CID 89182820) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-2-methoxyaniline
PubChem CID89182820
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[2-(diethylamino)ethyl]-2-methoxyaniline
SMILESCCN(CC)CCc1ccc(N)c(OC)c1
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)9-8-11-6-7-12(14)13(10-11)16-3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeySBZPMAVHLINOEH-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.16
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

4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]benzene-1,2-diamine
CID 10642093
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
4-hexyl-2-methoxyaniline
CID 70551686
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine
CID 14901820
CID 90251753
CID 90251753
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid
CID 67256217
4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
CID 10014310
4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
CID 22753068

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-2-methoxyaniline?
The IUPAC name of 4-[2-(diethylamino)ethyl]-2-methoxyaniline (CID 89182820) is 4-[2-(diethylamino)ethyl]-2-methoxyaniline.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-2-methoxyaniline?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-2-methoxyaniline is CCN(CC)CCc1ccc(N)c(OC)c1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-2-methoxyaniline?
The InChIKey is SBZPMAVHLINOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(5-2)9-8-11-6-7-12(14)13(10-11)16-3/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of 4-[2-(diethylamino)ethyl]-2-methoxyaniline?
4-[2-(diethylamino)ethyl]-2-methoxyaniline has a molecular weight of 222.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-2-methoxyaniline is sourced from PubChem (CID 89182820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).