1-[4-(1-aminopropyl)phenoxy]propan-2-ol

C12H19NO2 — CID 60880327

IUPAC1-[4-(1-aminopropyl)phenoxy]propan-2-ol
SMILESCCC(N)c1ccc(OCC(C)O)cc1
InChIInChI=1S/C12H19NO2/c1-3-12(13)10-4-6-11(7-5-10)15-8-9(2)14/h4-7,9,12,14H,3,8,13H2,1-2H3
InChIKeyATRUAAUHUZJKMH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds5

About 1-[4-(1-aminopropyl)phenoxy]propan-2-ol

1-[4-(1-aminopropyl)phenoxy]propan-2-ol (PubChem CID 60880327) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[4-(1-aminopropyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-aminopropyl)phenoxy]propan-2-ol
PubChem CID60880327
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[4-(1-aminopropyl)phenoxy]propan-2-ol
SMILESCCC(N)c1ccc(OCC(C)O)cc1
InChIInChI=1S/C12H19NO2/c1-3-12(13)10-4-6-11(7-5-10)15-8-9(2)14/h4-7,9,12,14H,3,8,13H2,1-2H3
InChIKeyATRUAAUHUZJKMH-UHFFFAOYSA-N
XLogP1.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate
CID 139911211
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine
CID 78937175
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 121279067
(1S)-1-(4-but-2-ynoxyphenyl)propan-1-amine
CID 63367698

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(1-aminopropyl)phenoxy]propan-2-ol (CID 60880327) is 1-[4-(1-aminopropyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(1-aminopropyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(1-aminopropyl)phenoxy]propan-2-ol is CCC(N)c1ccc(OCC(C)O)cc1.
What is the InChIKey of 1-[4-(1-aminopropyl)phenoxy]propan-2-ol?
The InChIKey is ATRUAAUHUZJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-12(13)10-4-6-11(7-5-10)15-8-9(2)14/h4-7,9,12,14H,3,8,13H2,1-2H3.
What are the key properties of 1-[4-(1-aminopropyl)phenoxy]propan-2-ol?
1-[4-(1-aminopropyl)phenoxy]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopropyl)phenoxy]propan-2-ol is sourced from PubChem (CID 60880327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).