2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide

C16H26N2O2 — CID 61486605

IUPAC2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC(C)C)c(C(C)N)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)7-8-18-16(19)10-20-15-6-5-12(3)9-14(15)13(4)17/h5-6,9,11,13H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyGNOXTBQCIJGHAK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.56
Rot. Bonds7

About 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide

2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 61486605) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
PubChem CID61486605
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC(C)C)c(C(C)N)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)7-8-18-16(19)10-20-15-6-5-12(3)9-14(15)13(4)17/h5-6,9,11,13H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyGNOXTBQCIJGHAK-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 78946994
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide (CID 61486605) is 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide is Cc1ccc(OCC(=O)NCCC(C)C)c(C(C)N)c1.
What is the InChIKey of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is GNOXTBQCIJGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)7-8-18-16(19)10-20-15-6-5-12(3)9-14(15)13(4)17/h5-6,9,11,13H,7-8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide?
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 61486605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).