1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine

C17H28N2O — CID 60695784

IUPAC1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCCN1CCCCC1
InChIInChI=1S/C17H28N2O/c1-14-7-8-17(20-3)16(13-14)15(2)18-9-12-19-10-5-4-6-11-19/h7-8,13,15,18H,4-6,9-12H2,1-3H3
InChIKeyHKZHYMOTYFPSFX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.14
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine

1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine (PubChem CID 60695784) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
PubChem CID60695784
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCCN1CCCCC1
InChIInChI=1S/C17H28N2O/c1-14-7-8-17(20-3)16(13-14)15(2)18-9-12-19-10-5-4-6-11-19/h7-8,13,15,18H,4-6,9-12H2,1-3H3
InChIKeyHKZHYMOTYFPSFX-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231363
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine (CID 60695784) is 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine is COc1ccc(C)cc1C(C)NCCN1CCCCC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
The InChIKey is HKZHYMOTYFPSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-7-8-17(20-3)16(13-14)15(2)18-9-12-19-10-5-4-6-11-19/h7-8,13,15,18H,4-6,9-12H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine is sourced from PubChem (CID 60695784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).