[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine

C16H26N2O — CID 43253572

IUPAC[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CC(C)CN(CCOc2cccc(CN)c2)C1
InChIInChI=1S/C16H26N2O/c1-13-8-14(2)12-18(11-13)6-7-19-16-5-3-4-15(9-16)10-17/h3-5,9,13-14H,6-8,10-12,17H2,1-2H3
InChIKeyYHPKPRLBUGFBLY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds5

About [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine

[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine (PubChem CID 43253572) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
PubChem CID43253572
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CC(C)CN(CCOc2cccc(CN)c2)C1
InChIInChI=1S/C16H26N2O/c1-13-8-14(2)12-18(11-13)6-7-19-16-5-3-4-15(9-16)10-17/h3-5,9,13-14H,6-8,10-12,17H2,1-2H3
InChIKeyYHPKPRLBUGFBLY-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[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-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine
CID 95194994
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
[3-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559129
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine
CID 43253614
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine (CID 43253572) is [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine is CC1CC(C)CN(CCOc2cccc(CN)c2)C1.
What is the InChIKey of [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is YHPKPRLBUGFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-8-14(2)12-18(11-13)6-7-19-16-5-3-4-15(9-16)10-17/h3-5,9,13-14H,6-8,10-12,17H2,1-2H3.
What are the key properties of [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43253572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).