3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline

C15H26N2O — CID 43720882

IUPAC3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-13(6-2)16-14-8-7-9-15(12-14)18-11-10-17(3)4/h7-9,12-13,16H,5-6,10-11H2,1-4H3
InChIKeyNYDTVVZKUPXDED-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.23
Rot. Bonds8

About 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline

3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline (PubChem CID 43720882) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
PubChem CID43720882
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-13(6-2)16-14-8-7-9-15(12-14)18-11-10-17(3)4/h7-9,12-13,16H,5-6,10-11H2,1-4H3
InChIKeyNYDTVVZKUPXDED-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 104652524
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757328
2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 60852855

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline (CID 43720882) is 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline is CCC(CC)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline?
The InChIKey is NYDTVVZKUPXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(6-2)16-14-8-7-9-15(12-14)18-11-10-17(3)4/h7-9,12-13,16H,5-6,10-11H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline?
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline has a molecular weight of 250.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline is sourced from PubChem (CID 43720882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).