2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

C17H28N2O — CID 107391351

IUPAC2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-13-8-14(2)10-15(9-13)16(11-18)19-7-5-6-17(3,12-19)20-4/h8-10,16H,5-7,11-12,18H2,1-4H3
InChIKeyUQCKSYQRFXZQPV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (PubChem CID 107391351) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
PubChem CID107391351
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-13-8-14(2)10-15(9-13)16(11-18)19-7-5-6-17(3,12-19)20-4/h8-10,16H,5-7,11-12,18H2,1-4H3
InChIKeyUQCKSYQRFXZQPV-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (CID 107391351) is 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is COC1(C)CCCN(C(CN)c2cc(C)cc(C)c2)C1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The InChIKey is UQCKSYQRFXZQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-8-14(2)10-15(9-13)16(11-18)19-7-5-6-17(3,12-19)20-4/h8-10,16H,5-7,11-12,18H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107391351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).