3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide

C15H24N2O3 — CID 62627529

IUPAC3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1cccc(CCN)c1OCCC(=O)NC(C)C
InChIInChI=1S/C15H24N2O3/c1-11(2)17-14(18)8-10-20-15-12(7-9-16)5-4-6-13(15)19-3/h4-6,11H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyQOLQXPYTDSMSLE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds8

About 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide

3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide (PubChem CID 62627529) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
PubChem CID62627529
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1cccc(CCN)c1OCCC(=O)NC(C)C
InChIInChI=1S/C15H24N2O3/c1-11(2)17-14(18)8-10-20-15-12(7-9-16)5-4-6-13(15)19-3/h4-6,11H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyQOLQXPYTDSMSLE-UHFFFAOYSA-N
XLogP1.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
CID 115958129
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
CID 62326107
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 60904735
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide (CID 62627529) is 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide is COc1cccc(CCN)c1OCCC(=O)NC(C)C.
What is the InChIKey of 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is QOLQXPYTDSMSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)17-14(18)8-10-20-15-12(7-9-16)5-4-6-13(15)19-3/h4-6,11H,7-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide?
3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62627529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).