2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide

C13H20N2O2 — CID 78947140

IUPAC2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide
SMILESCCC(Oc1cc(C)ccc1[C@@H](C)N)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-11(13(15)16)17-12-7-8(2)5-6-10(12)9(3)14/h5-7,9,11H,4,14H2,1-3H3,(H2,15,16)/t9-,11?/m1/s1
InChIKeyGFJHCVGMIKZBBA-BFHBGLAWSA-N
MW236.31 g/mol
LogP1.66
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide

2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide (PubChem CID 78947140) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide
PubChem CID78947140
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide
SMILESCCC(Oc1cc(C)ccc1[C@@H](C)N)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-11(13(15)16)17-12-7-8(2)5-6-10(12)9(3)14/h5-7,9,11H,4,14H2,1-3H3,(H2,15,16)/t9-,11?/m1/s1
InChIKeyGFJHCVGMIKZBBA-BFHBGLAWSA-N
XLogP1.66
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)-5-methylphenoxy]butanamide
CID 63640445
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
2-(4-methylphenoxy)butanamide
CID 4980758
ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
CID 63650860
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
2-[2-[(1R)-1-aminoethyl]phenoxy]butanoic acid
CID 78996826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide (CID 78947140) is 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide is CCC(Oc1cc(C)ccc1[C@@H](C)N)C(N)=O.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide?
The InChIKey is GFJHCVGMIKZBBA-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-11(13(15)16)17-12-7-8(2)5-6-10(12)9(3)14/h5-7,9,11H,4,14H2,1-3H3,(H2,15,16)/t9-,11?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide?
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide is sourced from PubChem (CID 78947140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).