2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline

C14H22N2O — CID 64570830

IUPAC2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
SMILESCOCC1CCN(CCc2ccccc2N)C1
InChIInChI=1S/C14H22N2O/c1-17-11-12-6-8-16(10-12)9-7-13-4-2-3-5-14(13)15/h2-5,12H,6-11,15H2,1H3
InChIKeyPHTICJWOWDRTEG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline

2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline (PubChem CID 64570830) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
PubChem CID64570830
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
SMILESCOCC1CCN(CCc2ccccc2N)C1
InChIInChI=1S/C14H22N2O/c1-17-11-12-6-8-16(10-12)9-7-13-4-2-3-5-14(13)15/h2-5,12H,6-11,15H2,1H3
InChIKeyPHTICJWOWDRTEG-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
CID 62495896
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590
2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 84662847
[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112624443

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
The IUPAC name of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline (CID 64570830) is 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline.
What is the SMILES notation for 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
The canonical SMILES for 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline is COCC1CCN(CCc2ccccc2N)C1.
What is the InChIKey of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
The InChIKey is PHTICJWOWDRTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-11-12-6-8-16(10-12)9-7-13-4-2-3-5-14(13)15/h2-5,12H,6-11,15H2,1H3.
What are the key properties of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline is sourced from PubChem (CID 64570830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).