2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C16H26N2O — CID 103531517

IUPAC2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCOC1CCN(C(CN)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)16(13(3)8-11)15(9-17)18-6-5-14(10-18)19-4/h7-8,14-15H,5-6,9-10,17H2,1-4H3
InChIKeyXOIAFFGTNWDSKM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.33
Rot. Bonds4

About 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine

2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 103531517) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID103531517
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCOC1CCN(C(CN)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)16(13(3)8-11)15(9-17)18-6-5-14(10-18)19-4/h7-8,14-15H,5-6,9-10,17H2,1-4H3
InChIKeyXOIAFFGTNWDSKM-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115559395
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62988305
2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104696
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-cyclopentyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531635
[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 62068815

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 103531517) is 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine is COC1CCN(C(CN)c2c(C)cc(C)cc2C)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is XOIAFFGTNWDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-12(2)16(13(3)8-11)15(9-17)18-6-5-14(10-18)19-4/h7-8,14-15H,5-6,9-10,17H2,1-4H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 103531517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).