2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine

C16H26N2O — CID 63325127

IUPAC2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESCc1ccc(OCCN2CCCCC2)c(CCN)c1
InChIInChI=1S/C16H26N2O/c1-14-5-6-16(15(13-14)7-8-17)19-12-11-18-9-3-2-4-10-18/h5-6,13H,2-4,7-12,17H2,1H3
InChIKeyOFLCDKZRUMZAFM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.36
Rot. Bonds6

About 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine

2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 63325127) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
PubChem CID63325127
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESCc1ccc(OCCN2CCCCC2)c(CCN)c1
InChIInChI=1S/C16H26N2O/c1-14-5-6-16(15(13-14)7-8-17)19-12-11-18-9-3-2-4-10-18/h5-6,13H,2-4,7-12,17H2,1H3
InChIKeyOFLCDKZRUMZAFM-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192
1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
CID 2924381
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60800600
1-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine;oxalic acid
CID 16614087
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine (CID 63325127) is 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine is Cc1ccc(OCCN2CCCCC2)c(CCN)c1.
What is the InChIKey of 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is OFLCDKZRUMZAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-6-16(15(13-14)7-8-17)19-12-11-18-9-3-2-4-10-18/h5-6,13H,2-4,7-12,17H2,1H3.
What are the key properties of 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 63325127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).