N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine

C17H28N2O — CID 64569899

IUPACN-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCC(COC)C1)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-18-17(16-8-6-5-7-14(16)2)12-19-10-9-15(11-19)13-20-3/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyFPXNMJOZQZOUNN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.61
Rot. Bonds7

About N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine

N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine (PubChem CID 64569899) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
PubChem CID64569899
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCC(COC)C1)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-18-17(16-8-6-5-7-14(16)2)12-19-10-9-15(11-19)13-20-3/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyFPXNMJOZQZOUNN-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64569701
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 107392171
N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392876
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 99854313
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine (CID 64569899) is N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine is CCNC(CN1CCC(COC)C1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine?
The InChIKey is FPXNMJOZQZOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-17(16-8-6-5-7-14(16)2)12-19-10-9-15(11-19)13-20-3/h5-8,15,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine?
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64569899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).