3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline

C13H20N2O2 — CID 67304202

IUPAC3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline
SMILESCOc1cc(N)ccc1OCCC1CCCN1
InChIInChI=1S/C13H20N2O2/c1-16-13-9-10(14)4-5-12(13)17-8-6-11-3-2-7-15-11/h4-5,9,11,15H,2-3,6-8,14H2,1H3
InChIKeySYMYQJOHOWNRJL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds5

About 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline

3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline (PubChem CID 67304202) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline
PubChem CID67304202
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline
SMILESCOc1cc(N)ccc1OCCC1CCCN1
InChIInChI=1S/C13H20N2O2/c1-16-13-9-10(14)4-5-12(13)17-8-6-11-3-2-7-15-11/h4-5,9,11,15H,2-3,6-8,14H2,1H3
InChIKeySYMYQJOHOWNRJL-UHFFFAOYSA-N
XLogP1.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-methoxy-4-(2-piperidin-2-ylethoxy)phenyl]methanol
CID 107743173
3-methoxy-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820443
4-(5-cyclohexylpentoxy)-3-methoxyaniline
CID 27225
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210196
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
4-(3-ethoxypropoxy)-3-methoxyaniline
CID 65176717
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline?
The IUPAC name of 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline (CID 67304202) is 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline?
The canonical SMILES for 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline is COc1cc(N)ccc1OCCC1CCCN1.
What is the InChIKey of 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline?
The InChIKey is SYMYQJOHOWNRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-13-9-10(14)4-5-12(13)17-8-6-11-3-2-7-15-11/h4-5,9,11,15H,2-3,6-8,14H2,1H3.
What are the key properties of 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline?
3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline has a molecular weight of 236.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline is sourced from PubChem (CID 67304202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).