[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol

C15H24N2O2 — CID 102778067

IUPAC[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCOc2cccc(CN)c2)C1CO
InChIInChI=1S/C15H24N2O2/c1-12-5-6-17(15(12)11-18)7-8-19-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3
InChIKeyBCWWSKMMJDMYNM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.23
Rot. Bonds6

About [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102778067) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102778067
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCOc2cccc(CN)c2)C1CO
InChIInChI=1S/C15H24N2O2/c1-12-5-6-17(15(12)11-18)7-8-19-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3
InChIKeyBCWWSKMMJDMYNM-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

[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
[3-methyl-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788406
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol (CID 102778067) is [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CCOc2cccc(CN)c2)C1CO.
What is the InChIKey of [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is BCWWSKMMJDMYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-5-6-17(15(12)11-18)7-8-19-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3.
What are the key properties of [1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol 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-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102778067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).