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

C16H25NO3 — CID 106200329

IUPAC1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
SMILESNCc1ccccc1OCC(O)COCCC1CCC1
InChIInChI=1S/C16H25NO3/c17-10-14-6-1-2-7-16(14)20-12-15(18)11-19-9-8-13-4-3-5-13/h1-2,6-7,13,15,18H,3-5,8-12,17H2
InChIKeyVPUFVFUYHKKCSL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.09
Rot. Bonds9

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

1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol (PubChem CID 106200329) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
PubChem CID106200329
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
SMILESNCc1ccccc1OCC(O)COCCC1CCC1
InChIInChI=1S/C16H25NO3/c17-10-14-6-1-2-7-16(14)20-12-15(18)11-19-9-8-13-4-3-5-13/h1-2,6-7,13,15,18H,3-5,8-12,17H2
InChIKeyVPUFVFUYHKKCSL-UHFFFAOYSA-N
XLogP2.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
CID 106200278
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol
CID 62115597
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
CID 114157270
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373
1-[2-(aminomethyl)phenoxy]-3-[cyclopropyl(ethyl)amino]propan-2-ol
CID 43263892
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol (CID 106200329) is 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol is NCc1ccccc1OCC(O)COCCC1CCC1.
What is the InChIKey of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol?
The InChIKey is VPUFVFUYHKKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c17-10-14-6-1-2-7-16(14)20-12-15(18)11-19-9-8-13-4-3-5-13/h1-2,6-7,13,15,18H,3-5,8-12,17H2.
What are the key properties of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol?
1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.09, 9 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-(2-cyclobutylethoxy)propan-2-ol is sourced from PubChem (CID 106200329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).