[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine

C15H24N2O — CID 43253311

IUPAC[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CCN(CCOc2cccc(CN)c2)CC1
InChIInChI=1S/C15H24N2O/c1-13-5-7-17(8-6-13)9-10-18-15-4-2-3-14(11-15)12-16/h2-4,11,13H,5-10,12,16H2,1H3
InChIKeyGMEUOSMLBJICAU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds5

About [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine

[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine (PubChem CID 43253311) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
PubChem CID43253311
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CCN(CCOc2cccc(CN)c2)CC1
InChIInChI=1S/C15H24N2O/c1-13-5-7-17(8-6-13)9-10-18-15-4-2-3-14(11-15)12-16/h2-4,11,13H,5-10,12,16H2,1H3
InChIKeyGMEUOSMLBJICAU-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 14026189
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine (CID 43253311) is [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine is CC1CCN(CCOc2cccc(CN)c2)CC1.
What is the InChIKey of [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is GMEUOSMLBJICAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-5-7-17(8-6-13)9-10-18-15-4-2-3-14(11-15)12-16/h2-4,11,13H,5-10,12,16H2,1H3.
What are the key properties of [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine?
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43253311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).