N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline

C14H22N2O — CID 103540070

IUPACN-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline
SMILESCOC1CCN(CCNc2ccccc2C)C1
InChIInChI=1S/C14H22N2O/c1-12-5-3-4-6-14(12)15-8-10-16-9-7-13(11-16)17-2/h3-6,13,15H,7-11H2,1-2H3
InChIKeyFDCAYVQPNAAXRL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline

N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline (PubChem CID 103540070) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline
PubChem CID103540070
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline
SMILESCOC1CCN(CCNc2ccccc2C)C1
InChIInChI=1S/C14H22N2O/c1-12-5-3-4-6-14(12)15-8-10-16-9-7-13(11-16)17-2/h3-6,13,15H,7-11H2,1-2H3
InChIKeyFDCAYVQPNAAXRL-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62558638
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
CID 62574960
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
3-chloro-N-[2-(3-methoxypiperidin-1-yl)ethyl]aniline
CID 102968345
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-methylaniline;dihydrochloride
CID 70100793
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62775057

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline (CID 103540070) is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline is COC1CCN(CCNc2ccccc2C)C1.
What is the InChIKey of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline?
The InChIKey is FDCAYVQPNAAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-5-3-4-6-14(12)15-8-10-16-9-7-13(11-16)17-2/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline?
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 103540070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).