1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol

C15H25NO4 — CID 63685060

IUPAC1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
SMILESCCCOCCOCC(O)COc1ccc(CN)cc1
InChIInChI=1S/C15H25NO4/c1-2-7-18-8-9-19-11-14(17)12-20-15-5-3-13(10-16)4-6-15/h3-6,14,17H,2,7-12,16H2,1H3
InChIKeyQUIHJWHTQKQFEU-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.33
Rot. Bonds11

About 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol

1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol (PubChem CID 63685060) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
PubChem CID63685060
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
SMILESCCCOCCOCC(O)COc1ccc(CN)cc1
InChIInChI=1S/C15H25NO4/c1-2-7-18-8-9-19-11-14(17)12-20-15-5-3-13(10-16)4-6-15/h3-6,14,17H,2,7-12,16H2,1H3
InChIKeyQUIHJWHTQKQFEU-UHFFFAOYSA-N
XLogP1.33
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
CID 43531580
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
1-(2-aminoethylamino)-3-[4-(2-propoxyethoxy)phenoxy]propan-2-ol
CID 23349125
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
CID 43294523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol (CID 63685060) is 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol is CCCOCCOCC(O)COc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol?
The InChIKey is QUIHJWHTQKQFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-7-18-8-9-19-11-14(17)12-20-15-5-3-13(10-16)4-6-15/h3-6,14,17H,2,7-12,16H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.33, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol is sourced from PubChem (CID 63685060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).