1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C16H27NO4 — CID 106988424

IUPAC1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCC(N)c1ccccc1OCC(O)COC(C)COC
InChIInChI=1S/C16H27NO4/c1-4-15(17)14-7-5-6-8-16(14)21-11-13(18)10-20-12(2)9-19-3/h5-8,12-13,15,18H,4,9-11,17H2,1-3H3
InChIKeySMDYVHXUGBXRMG-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.89
Rot. Bonds10

About 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106988424) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106988424
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCC(N)c1ccccc1OCC(O)COC(C)COC
InChIInChI=1S/C16H27NO4/c1-4-15(17)14-7-5-6-8-16(14)21-11-13(18)10-20-12(2)9-19-3/h5-8,12-13,15,18H,4,9-11,17H2,1-3H3
InChIKeySMDYVHXUGBXRMG-UHFFFAOYSA-N
XLogP1.89
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988774
1-[2-(1-aminoethyl)-5-methylphenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988768
1-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988776
1-[4-chloro-2-(1-hydroxyethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991081
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 78933161
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid
CID 106988306
1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 63931772

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106988424) is 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol is CCC(N)c1ccccc1OCC(O)COC(C)COC.
What is the InChIKey of 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is SMDYVHXUGBXRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-4-15(17)14-7-5-6-8-16(14)21-11-13(18)10-20-12(2)9-19-3/h5-8,12-13,15,18H,4,9-11,17H2,1-3H3.
What are the key properties of 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 297.39 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106988424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).