1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol

C15H25NO3 — CID 63988845

IUPAC1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OCC(O)COC(C)C)c([C@@H](C)N)c1
InChIInChI=1S/C15H25NO3/c1-10(2)18-8-13(17)9-19-15-6-5-11(3)7-14(15)12(4)16/h5-7,10,12-13,17H,8-9,16H2,1-4H3/t12-,13?/m1/s1
InChIKeyFVBDJFMUHSQNHW-PZORYLMUSA-N
MW267.37 g/mol
LogP2.18
Rot. Bonds7

About 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol

1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol (PubChem CID 63988845) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol
PubChem CID63988845
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OCC(O)COC(C)C)c([C@@H](C)N)c1
InChIInChI=1S/C15H25NO3/c1-10(2)18-8-13(17)9-19-15-6-5-11(3)7-14(15)12(4)16/h5-7,10,12-13,17H,8-9,16H2,1-4H3/t12-,13?/m1/s1
InChIKeyFVBDJFMUHSQNHW-PZORYLMUSA-N
XLogP2.18
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988427
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
CID 63988643
1-[2-(1-aminoethyl)-5-methylphenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988768
1-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988774
1-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988776
1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
CID 63928842
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
1-[4-bromo-2-(1-hydroxyethyl)phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63987177
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60889792
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol (CID 63988845) is 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol is Cc1ccc(OCC(O)COC(C)C)c([C@@H](C)N)c1.
What is the InChIKey of 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol?
The InChIKey is FVBDJFMUHSQNHW-PZORYLMUSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)18-8-13(17)9-19-15-6-5-11(3)7-14(15)12(4)16/h5-7,10,12-13,17H,8-9,16H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol?
1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63988845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).