1-(3-aminophenoxy)-3-pentoxypropan-2-ol

C14H23NO3 — CID 55055260

IUPAC1-(3-aminophenoxy)-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)COc1cccc(N)c1
InChIInChI=1S/C14H23NO3/c1-2-3-4-8-17-10-13(16)11-18-14-7-5-6-12(15)9-14/h5-7,9,13,16H,2-4,8,10-11,15H2,1H3
InChIKeyZIMMPYQLKOYCMW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About 1-(3-aminophenoxy)-3-pentoxypropan-2-ol

1-(3-aminophenoxy)-3-pentoxypropan-2-ol (PubChem CID 55055260) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-pentoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-pentoxypropan-2-ol
PubChem CID55055260
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(3-aminophenoxy)-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)COc1cccc(N)c1
InChIInChI=1S/C14H23NO3/c1-2-3-4-8-17-10-13(16)11-18-14-7-5-6-12(15)9-14/h5-7,9,13,16H,2-4,8,10-11,15H2,1H3
InChIKeyZIMMPYQLKOYCMW-UHFFFAOYSA-N
XLogP2.22
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
3-(2-hydroxy-3-tetradecoxypropoxy)phenol
CID 154641775
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
3-(3-propoxypropoxy)aniline
CID 43247836
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
5-(2-hydroxy-3-tridecoxypropoxy)-2-methylphenol
CID 59445639
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-pentoxypropan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-pentoxypropan-2-ol (CID 55055260) is 1-(3-aminophenoxy)-3-pentoxypropan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-pentoxypropan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-pentoxypropan-2-ol is CCCCCOCC(O)COc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-pentoxypropan-2-ol?
The InChIKey is ZIMMPYQLKOYCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-8-17-10-13(16)11-18-14-7-5-6-12(15)9-14/h5-7,9,13,16H,2-4,8,10-11,15H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-pentoxypropan-2-ol?
1-(3-aminophenoxy)-3-pentoxypropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-pentoxypropan-2-ol is sourced from PubChem (CID 55055260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).