N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine

C15H24N2O — CID 54792876

IUPACN-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccccc2OCC)C1
InChIInChI=1S/C15H24N2O/c1-3-16-11-13-9-10-17(12-13)14-7-5-6-8-15(14)18-4-2/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyFVYPLVMSDGGVJU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.52
Rot. Bonds6

About N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 54792876) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID54792876
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccccc2OCC)C1
InChIInChI=1S/C15H24N2O/c1-3-16-11-13-9-10-17(12-13)14-7-5-6-8-15(14)18-4-2/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyFVYPLVMSDGGVJU-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
CID 113416878
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771
(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119108419
N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513267
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
2-benzyl-1-ethyl-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110953423
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine (CID 54792876) is N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(c2ccccc2OCC)C1.
What is the InChIKey of N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is FVYPLVMSDGGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-16-11-13-9-10-17(12-13)14-7-5-6-8-15(14)18-4-2/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54792876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).