2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide

C16H26N2O2 — CID 115957613

IUPAC2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
SMILESCc1cccc(CCN)c1OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11-7-6-8-13(9-10-17)14(11)20-12(2)15(19)18-16(3,4)5/h6-8,12H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyXKDCBNWJUABFDE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide (PubChem CID 115957613) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
PubChem CID115957613
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
SMILESCc1cccc(CCN)c1OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11-7-6-8-13(9-10-17)14(11)20-12(2)15(19)18-16(3,4)5/h6-8,12H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyXKDCBNWJUABFDE-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112614872
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopentylpropanamide
CID 115957684
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
CID 115960904
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 112607249
2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
CID 112612470
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide (CID 115957613) is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide is Cc1cccc(CCN)c1OC(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide?
The InChIKey is XKDCBNWJUABFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-6-8-13(9-10-17)14(11)20-12(2)15(19)18-16(3,4)5/h6-8,12H,9-10,17H2,1-5H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide?
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide is sourced from PubChem (CID 115957613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).