1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol

C12H19NO3 — CID 63930638

IUPAC1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1cccc(C(C)N)c1
InChIInChI=1S/C12H19NO3/c1-9(13)10-4-3-5-12(6-10)16-8-11(14)7-15-2/h3-6,9,11,14H,7-8,13H2,1-2H3
InChIKeyJNZDPUYWHHYCCM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.09
Rot. Bonds6

About 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol

1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol (PubChem CID 63930638) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
PubChem CID63930638
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1cccc(C(C)N)c1
InChIInChI=1S/C12H19NO3/c1-9(13)10-4-3-5-12(6-10)16-8-11(14)7-15-2/h3-6,9,11,14H,7-8,13H2,1-2H3
InChIKeyJNZDPUYWHHYCCM-UHFFFAOYSA-N
XLogP1.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1R)-1-aminoethyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 78955931
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol (CID 63930638) is 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol is COCC(O)COc1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol?
The InChIKey is JNZDPUYWHHYCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(13)10-4-3-5-12(6-10)16-8-11(14)7-15-2/h3-6,9,11,14H,7-8,13H2,1-2H3.
What are the key properties of 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol?
1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 63930638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).