N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine

C15H24N2O — CID 63301494

IUPACN-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1cccc(OC)c1
InChIInChI=1S/C15H24N2O/c1-4-17(14-8-9-16-11-14)12(2)13-6-5-7-15(10-13)18-3/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3
InChIKeyANIBETKHVLQCJT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 63301494) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
PubChem CID63301494
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1cccc(OC)c1
InChIInChI=1S/C15H24N2O/c1-4-17(14-8-9-16-11-14)12(2)13-6-5-7-15(10-13)18-3/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3
InChIKeyANIBETKHVLQCJT-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine (CID 63301494) is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine is CCN(C1CCNC1)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is ANIBETKHVLQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-17(14-8-9-16-11-14)12(2)13-6-5-7-15(10-13)18-3/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63301494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).