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

C15H24N2O2 — CID 61221833

IUPAC1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2O2/c1-12-5-6-17(9-12)10-14(18)11-19-15-4-2-3-13(7-15)8-16/h2-4,7,12,14,18H,5-6,8-11,16H2,1H3
InChIKeyZDAGNYXZNSYMOD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.23
Rot. Bonds6

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

1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 61221833) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID61221833
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2O2/c1-12-5-6-17(9-12)10-14(18)11-19-15-4-2-3-13(7-15)8-16/h2-4,7,12,14,18H,5-6,8-11,16H2,1H3
InChIKeyZDAGNYXZNSYMOD-UHFFFAOYSA-N
XLogP1.23
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
ethyl 3-[2-hydroxy-3-(3-methylpyrrolidin-1-yl)propoxy]benzoate
CID 86880419
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
3-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]benzonitrile
CID 43288589
1-[4-(aminomethyl)phenoxy]-3-(3-methoxypyrrolidin-1-yl)propan-2-ol
CID 103531177
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
CID 43611818
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol (CID 61221833) is 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol is CC1CCN(CC(O)COc2cccc(CN)c2)C1.
What is the InChIKey of 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is ZDAGNYXZNSYMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-5-6-17(9-12)10-14(18)11-19-15-4-2-3-13(7-15)8-16/h2-4,7,12,14,18H,5-6,8-11,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.23, 6 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-(3-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 61221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).