N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

C17H28N2O — CID 79056235

IUPACN-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1cccc(OC)c1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H28N2O/c1-5-18-16(14-9-8-10-15(13-14)20-4)17(2,3)19-11-6-7-12-19/h8-10,13,16,18H,5-7,11-12H2,1-4H3
InChIKeyUGSFIRKMHLFYDN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79056235) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79056235
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1cccc(OC)c1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H28N2O/c1-5-18-16(14-9-8-10-15(13-14)20-4)17(2,3)19-11-6-7-12-19/h8-10,13,16,18H,5-7,11-12H2,1-4H3
InChIKeyUGSFIRKMHLFYDN-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79052030
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
CID 79045109
N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 79060679
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 104515805
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056070
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
CID 79050582
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (CID 79056235) is N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is CCNC(c1cccc(OC)c1)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is UGSFIRKMHLFYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-16(14-9-8-10-15(13-14)20-4)17(2,3)19-11-6-7-12-19/h8-10,13,16,18H,5-7,11-12H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79056235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).