2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline

C14H22N2O — CID 106637775

IUPAC2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCCOCc1ccccc1NCC1CCCN1
InChIInChI=1S/C14H22N2O/c1-2-17-11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13/h3-4,6,8,13,15-16H,2,5,7,9-11H2,1H3
InChIKeyMZSWZDWXUYITOX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.39
Rot. Bonds6

About 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline

2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106637775) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106637775
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCCOCc1ccccc1NCC1CCCN1
InChIInChI=1S/C14H22N2O/c1-2-17-11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13/h3-4,6,8,13,15-16H,2,5,7,9-11H2,1H3
InChIKeyMZSWZDWXUYITOX-UHFFFAOYSA-N
XLogP2.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707928
N-[2-(ethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61370411
2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82836648
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
(2R)-N-[[2-(ethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 103795112
N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 106633280
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881
2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
CID 114269774

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline (CID 106637775) is 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline is CCOCc1ccccc1NCC1CCCN1.
What is the InChIKey of 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is MZSWZDWXUYITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-17-11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13/h3-4,6,8,13,15-16H,2,5,7,9-11H2,1H3.
What are the key properties of 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline?
2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106637775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).