1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine

C16H26N2O2 — CID 103532336

IUPAC1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine
SMILESCCOc1ccccc1C(CN1CCC(OC)C1)NC
InChIInChI=1S/C16H26N2O2/c1-4-20-16-8-6-5-7-14(16)15(17-2)12-18-10-9-13(11-18)19-3/h5-8,13,15,17H,4,9-12H2,1-3H3
InChIKeyBYAJGTXXTDBTSP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine

1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine (PubChem CID 103532336) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine
PubChem CID103532336
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine
SMILESCCOc1ccccc1C(CN1CCC(OC)C1)NC
InChIInChI=1S/C16H26N2O2/c1-4-20-16-8-6-5-7-14(16)15(17-2)12-18-10-9-13(11-18)19-3/h5-8,13,15,17H,4,9-12H2,1-3H3
InChIKeyBYAJGTXXTDBTSP-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
2-(3-methoxypyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 103532164
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104679977
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
CID 103532310
1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539032
2-cyclopropyl-1-(2-ethoxyphenyl)-N-methylpropan-1-amine
CID 115853704
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
CID 102967344

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine (CID 103532336) is 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine is CCOc1ccccc1C(CN1CCC(OC)C1)NC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine?
The InChIKey is BYAJGTXXTDBTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-16-8-6-5-7-14(16)15(17-2)12-18-10-9-13(11-18)19-3/h5-8,13,15,17H,4,9-12H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine?
1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 103532336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).