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

C15H23NO3 — CID 106200278

IUPAC1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
SMILESNCc1ccccc1OCC(O)COCCC1CC1
InChIInChI=1S/C15H23NO3/c16-9-13-3-1-2-4-15(13)19-11-14(17)10-18-8-7-12-5-6-12/h1-4,12,14,17H,5-11,16H2
InChIKeyREGUHKHEQOSZOM-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.70
Rot. Bonds9

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

1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol (PubChem CID 106200278) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
PubChem CID106200278
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
SMILESNCc1ccccc1OCC(O)COCCC1CC1
InChIInChI=1S/C15H23NO3/c16-9-13-3-1-2-4-15(13)19-11-14(17)10-18-8-7-12-5-6-12/h1-4,12,14,17H,5-11,16H2
InChIKeyREGUHKHEQOSZOM-UHFFFAOYSA-N
XLogP1.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.70
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-cyclobutylethoxy)propan-2-ol
CID 106200329
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
1-[2-(aminomethyl)phenoxy]-3-cyclobutyloxypropan-2-ol
CID 62115597
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
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-(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
1-[2-(aminomethyl)-4-fluorophenoxy]-3-butoxypropan-2-ol
CID 107694736
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol (CID 106200278) is 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol is NCc1ccccc1OCC(O)COCCC1CC1.
What is the InChIKey of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol?
The InChIKey is REGUHKHEQOSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c16-9-13-3-1-2-4-15(13)19-11-14(17)10-18-8-7-12-5-6-12/h1-4,12,14,17H,5-11,16H2.
What are the key properties of 1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol?
1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.70, 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-cyclopropylethoxy)propan-2-ol is sourced from PubChem (CID 106200278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).