N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine

C15H24N2O — CID 63299763

IUPACN-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCOc1ccccc1CN(CC)C1CCNC1
InChIInChI=1S/C15H24N2O/c1-3-17(14-9-10-16-11-14)12-13-7-5-6-8-15(13)18-4-2/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyQGYXBCLGQOVZCJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine

N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63299763) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
PubChem CID63299763
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCOc1ccccc1CN(CC)C1CCNC1
InChIInChI=1S/C15H24N2O/c1-3-17(14-9-10-16-11-14)12-13-7-5-6-8-15(13)18-4-2/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyQGYXBCLGQOVZCJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

but-2-enedioic acid;(3S)-N-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine
CID 69062038
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine (CID 63299763) is N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine is CCOc1ccccc1CN(CC)C1CCNC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is QGYXBCLGQOVZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(14-9-10-16-11-14)12-13-7-5-6-8-15(13)18-4-2/h5-8,14,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine?
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63299763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).