2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline

C15H24N2O — CID 79707928

IUPAC2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
SMILESCCOCc1ccccc1NCC1CCNCC1
InChIInChI=1S/C15H24N2O/c1-2-18-12-14-5-3-4-6-15(14)17-11-13-7-9-16-10-8-13/h3-6,13,16-17H,2,7-12H2,1H3
InChIKeySWCLYPVRAFIPKG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds6

About 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline

2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline (PubChem CID 79707928) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
PubChem CID79707928
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
SMILESCCOCc1ccccc1NCC1CCNCC1
InChIInChI=1S/C15H24N2O/c1-2-18-12-14-5-3-4-6-15(14)17-11-13-7-9-16-10-8-13/h3-6,13,16-17H,2,7-12H2,1H3
InChIKeySWCLYPVRAFIPKG-UHFFFAOYSA-N
XLogP2.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637775
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82836648
N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 79708171
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302
N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline (CID 79707928) is 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline is CCOCc1ccccc1NCC1CCNCC1.
What is the InChIKey of 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is SWCLYPVRAFIPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-12-14-5-3-4-6-15(14)17-11-13-7-9-16-10-8-13/h3-6,13,16-17H,2,7-12H2,1H3.
What are the key properties of 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 79707928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).