1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone

C15H23NO2 — CID 130371601

IUPAC1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone
SMILESCOC[C@H](N)Cc1c(C(C)=O)cccc1C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)13-6-5-7-14(11(3)17)15(13)8-12(16)9-18-4/h5-7,10,12H,8-9,16H2,1-4H3/t12-/m1/s1
InChIKeyRCYMGIUFGJQMKB-GFCCVEGCSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds6

About 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone

1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone (PubChem CID 130371601) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone
PubChem CID130371601
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone
SMILESCOC[C@H](N)Cc1c(C(C)=O)cccc1C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)13-6-5-7-14(11(3)17)15(13)8-12(16)9-18-4/h5-7,10,12H,8-9,16H2,1-4H3/t12-/m1/s1
InChIKeyRCYMGIUFGJQMKB-GFCCVEGCSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate
CID 171485491
methyl 2-(bromomethyl)-3-propan-2-ylbenzoate
CID 91380852
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
1-[2-(1-methoxyethyl)phenyl]ethanone
CID 86011616
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
tetracalcium;octakis(1,2-dimethoxyethane);octakis([2,6-di(propan-2-yl)phenyl]azanide)
CID 139108765
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
methyl 2-[2-(aminomethyl)-3-propan-2-ylphenyl]acetate
CID 174486187
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
barium(2+);tris(1,2-dimethoxyethane);bis(2,6-di(propan-2-yl)phenolate)
CID 139176486

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone (CID 130371601) is 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone is COC[C@H](N)Cc1c(C(C)=O)cccc1C(C)C.
What is the InChIKey of 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone?
The InChIKey is RCYMGIUFGJQMKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)13-6-5-7-14(11(3)17)15(13)8-12(16)9-18-4/h5-7,10,12H,8-9,16H2,1-4H3/t12-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone?
1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone has a molecular weight of 249.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone is sourced from PubChem (CID 130371601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).