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

C16H26N2O — CID 62331368

IUPAC[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CCN(CCOc2cccc(CN)c2)C(C)C1
InChIInChI=1S/C16H26N2O/c1-13-6-7-18(14(2)10-13)8-9-19-16-5-3-4-15(11-16)12-17/h3-5,11,13-14H,6-10,12,17H2,1-2H3
InChIKeyRTRINLSGYGVUDT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds5

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

[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine (PubChem CID 62331368) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
PubChem CID62331368
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CCN(CCOc2cccc(CN)c2)C(C)C1
InChIInChI=1S/C16H26N2O/c1-13-6-7-18(14(2)10-13)8-9-19-16-5-3-4-15(11-16)12-17/h3-5,11,13-14H,6-10,12,17H2,1-2H3
InChIKeyRTRINLSGYGVUDT-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62430706
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
4-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]benzoic acid
CID 62332504
[3-[2-(3-methylcyclohexyl)sulfanylethoxy]phenyl]methanamine
CID 62721358
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine
CID 43253614
[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine
CID 43544254

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine (CID 62331368) is [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine is CC1CCN(CCOc2cccc(CN)c2)C(C)C1.
What is the InChIKey of [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is RTRINLSGYGVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-7-18(14(2)10-13)8-9-19-16-5-3-4-15(11-16)12-17/h3-5,11,13-14H,6-10,12,17H2,1-2H3.
What are the key properties of [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine?
[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 62331368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).