1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol

C14H21NO3 — CID 62115597

IUPAC1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol
SMILESNCc1ccccc1OCC(O)COC1CCC1
InChIInChI=1S/C14H21NO3/c15-8-11-4-1-2-7-14(11)18-10-12(16)9-17-13-5-3-6-13/h1-2,4,7,12-13,16H,3,5-6,8-10,15H2
InChIKeyOUTKKJGTPKFGEZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.45
Rot. Bonds7

About 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol

1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol (PubChem CID 62115597) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol
PubChem CID62115597
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol
SMILESNCc1ccccc1OCC(O)COC1CCC1
InChIInChI=1S/C14H21NO3/c15-8-11-4-1-2-7-14(11)18-10-12(16)9-17-13-5-3-6-13/h1-2,4,7,12-13,16H,3,5-6,8-10,15H2
InChIKeyOUTKKJGTPKFGEZ-UHFFFAOYSA-N
XLogP1.45
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
CID 106200329
1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
CID 106200278
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
1-[2-(aminomethyl)phenoxy]-3-[cyclopropyl(ethyl)amino]propan-2-ol
CID 43263892
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63694109
1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol
CID 43265458
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 22330841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol (CID 62115597) is 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol is NCc1ccccc1OCC(O)COC1CCC1.
What is the InChIKey of 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol?
The InChIKey is OUTKKJGTPKFGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c15-8-11-4-1-2-7-14(11)18-10-12(16)9-17-13-5-3-6-13/h1-2,4,7,12-13,16H,3,5-6,8-10,15H2.
What are the key properties of 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol?
1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol is sourced from PubChem (CID 62115597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).