1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol

C13H21NO3 — CID 60879775

IUPAC1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cc(C(C)N)ccc1OCC(C)(C)O
InChIInChI=1S/C13H21NO3/c1-9(14)10-5-6-11(12(7-10)16-4)17-8-13(2,3)15/h5-7,9,15H,8,14H2,1-4H3
InChIKeyBLKBLUUTYUJTKU-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.86
Rot. Bonds5

About 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol

1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol (PubChem CID 60879775) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
PubChem CID60879775
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cc(C(C)N)ccc1OCC(C)(C)O
InChIInChI=1S/C13H21NO3/c1-9(14)10-5-6-11(12(7-10)16-4)17-8-13(2,3)15/h5-7,9,15H,8,14H2,1-4H3
InChIKeyBLKBLUUTYUJTKU-UHFFFAOYSA-N
XLogP1.86
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629501
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939561
(1S)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanamine
CID 78936706
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol (CID 60879775) is 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol is COc1cc(C(C)N)ccc1OCC(C)(C)O.
What is the InChIKey of 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol?
The InChIKey is BLKBLUUTYUJTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(14)10-5-6-11(12(7-10)16-4)17-8-13(2,3)15/h5-7,9,15H,8,14H2,1-4H3.
What are the key properties of 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol?
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 60879775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).