3-(2-methoxyethoxy)-N-pentan-3-ylaniline

C14H23NO2 — CID 54864774

IUPAC3-(2-methoxyethoxy)-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1cccc(OCCOC)c1
InChIInChI=1S/C14H23NO2/c1-4-12(5-2)15-13-7-6-8-14(11-13)17-10-9-16-3/h6-8,11-12,15H,4-5,9-10H2,1-3H3
InChIKeyKPIMLPOHRZUHSE-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.31
Rot. Bonds8

About 3-(2-methoxyethoxy)-N-pentan-3-ylaniline

3-(2-methoxyethoxy)-N-pentan-3-ylaniline (PubChem CID 54864774) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-pentan-3-ylaniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-pentan-3-ylaniline
PubChem CID54864774
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2-methoxyethoxy)-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1cccc(OCCOC)c1
InChIInChI=1S/C14H23NO2/c1-4-12(5-2)15-13-7-6-8-14(11-13)17-10-9-16-3/h6-8,11-12,15H,4-5,9-10H2,1-3H3
InChIKeyKPIMLPOHRZUHSE-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
CID 60935769
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-(1-phenylbutan-2-yl)-3-propoxyaniline
CID 79008834
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-hexan-3-yl-3-methoxyaniline
CID 115916725

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-pentan-3-ylaniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-pentan-3-ylaniline (CID 54864774) is 3-(2-methoxyethoxy)-N-pentan-3-ylaniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-pentan-3-ylaniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-pentan-3-ylaniline is CCC(CC)Nc1cccc(OCCOC)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-pentan-3-ylaniline?
The InChIKey is KPIMLPOHRZUHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(5-2)15-13-7-6-8-14(11-13)17-10-9-16-3/h6-8,11-12,15H,4-5,9-10H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-N-pentan-3-ylaniline?
3-(2-methoxyethoxy)-N-pentan-3-ylaniline has a molecular weight of 237.34 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-pentan-3-ylaniline is sourced from PubChem (CID 54864774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).