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

C17H21NO3 — CID 43531526

IUPAC1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)COc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21NO3/c1-13-5-7-16(8-6-13)20-11-15(19)12-21-17-4-2-3-14(9-17)10-18/h2-9,15,19H,10-12,18H2,1H3
InChIKeyNXDXOZXGGCFWLT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.27
Rot. Bonds7

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

1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 43531526) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
PubChem CID43531526
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)COc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21NO3/c1-13-5-7-16(8-6-13)20-11-15(19)12-21-17-4-2-3-14(9-17)10-18/h2-9,15,19H,10-12,18H2,1H3
InChIKeyNXDXOZXGGCFWLT-UHFFFAOYSA-N
XLogP2.27
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 43531447
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
1-[3-(aminomethyl)phenoxy]-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444597
1-[[3-[3-(aminomethyl)phenoxy]-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79380270
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
CID 43611818
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol (CID 43531526) is 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)COc2cccc(CN)c2)cc1.
What is the InChIKey of 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is NXDXOZXGGCFWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-5-7-16(8-6-13)20-11-15(19)12-21-17-4-2-3-14(9-17)10-18/h2-9,15,19H,10-12,18H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol?
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 43531526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).