1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol

C14H21NO3 — CID 114157270

IUPAC1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COCCC2CC2)cc1
InChIInChI=1S/C14H21NO3/c15-12-3-5-14(6-4-12)18-10-13(16)9-17-8-7-11-1-2-11/h3-6,11,13,16H,1-2,7-10,15H2
InChIKeyCENACJFUSNJCFW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds8

About 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol

1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol (PubChem CID 114157270) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
PubChem CID114157270
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COCCC2CC2)cc1
InChIInChI=1S/C14H21NO3/c15-12-3-5-14(6-4-12)18-10-13(16)9-17-8-7-11-1-2-11/h3-6,11,13,16H,1-2,7-10,15H2
InChIKeyCENACJFUSNJCFW-UHFFFAOYSA-N
XLogP1.83
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701
1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 115941805
1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
CID 106200278
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-[4-(aminomethyl)phenoxy]-3-(cyclopropylmethoxy)propan-2-ol
CID 43531580
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338
1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
CID 106199970
1-(4-aminophenoxy)-3-(4,4-dimethylcyclohexyl)oxypropan-2-ol
CID 114340624
1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
CID 106200329
(2S)-1-(4-aminophenoxy)-3-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7064799
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol (CID 114157270) is 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol is Nc1ccc(OCC(O)COCCC2CC2)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol?
The InChIKey is CENACJFUSNJCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c15-12-3-5-14(6-4-12)18-10-13(16)9-17-8-7-11-1-2-11/h3-6,11,13,16H,1-2,7-10,15H2.
What are the key properties of 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol?
1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol is sourced from PubChem (CID 114157270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).