4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide

C15H24N2O3 — CID 82001215

IUPAC4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
SMILESCOc1ccc([C@@H](C)N)c(OCCCC(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(16)13-8-7-12(19-4)10-14(13)20-9-5-6-15(18)17(2)3/h7-8,10-11H,5-6,9,16H2,1-4H3/t11-/m1/s1
InChIKeySVRWYPSGMVCFGI-LLVKDONJSA-N
MW280.37 g/mol
LogP1.96
Rot. Bonds7

About 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide

4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide (PubChem CID 82001215) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
PubChem CID82001215
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
SMILESCOc1ccc([C@@H](C)N)c(OCCCC(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(16)13-8-7-12(19-4)10-14(13)20-9-5-6-15(18)17(2)3/h7-8,10-11H,5-6,9,16H2,1-4H3/t11-/m1/s1
InChIKeySVRWYPSGMVCFGI-LLVKDONJSA-N
XLogP1.96
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide (CID 82001215) is 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide is COc1ccc([C@@H](C)N)c(OCCCC(=O)N(C)C)c1.
What is the InChIKey of 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide?
The InChIKey is SVRWYPSGMVCFGI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(16)13-8-7-12(19-4)10-14(13)20-9-5-6-15(18)17(2)3/h7-8,10-11H,5-6,9,16H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide?
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 82001215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).