3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline

C15H24N2O2 — CID 58980833

IUPAC3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline
SMILESCOc1cc(N)ccc1OCC(C)(C)N1CCCC1
InChIInChI=1S/C15H24N2O2/c1-15(2,17-8-4-5-9-17)11-19-13-7-6-12(16)10-14(13)18-3/h6-7,10H,4-5,8-9,11,16H2,1-3H3
InChIKeyZKBJEIWSBBXLJG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.53
Rot. Bonds5

About 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline

3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline (PubChem CID 58980833) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline
PubChem CID58980833
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline
SMILESCOc1cc(N)ccc1OCC(C)(C)N1CCCC1
InChIInChI=1S/C15H24N2O2/c1-15(2,17-8-4-5-9-17)11-19-13-7-6-12(16)10-14(13)18-3/h6-7,10H,4-5,8-9,11,16H2,1-3H3
InChIKeyZKBJEIWSBBXLJG-UHFFFAOYSA-N
XLogP2.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
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-methyl-2-pyrrolidin-1-ylpropoxy)phenyl]methanediol
CID 20666844
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate
CID 58423532
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-(5-cyclohexylpentoxy)-3-methoxyaniline
CID 27225
tert-butyl 5-[2-(4-amino-2-methoxyphenoxy)ethyl]azocane-1-carboxylate
CID 139421073
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyaniline
CID 106436606
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)phenyl]thieno[3,2-d]pyrimidin-4-one
CID 58980830
3-methoxy-4-(2-pyrrolidin-1-ylethylsulfinyl)aniline
CID 114015336

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline?
The IUPAC name of 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline (CID 58980833) is 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline?
The canonical SMILES for 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline is COc1cc(N)ccc1OCC(C)(C)N1CCCC1.
What is the InChIKey of 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline?
The InChIKey is ZKBJEIWSBBXLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,17-8-4-5-9-17)11-19-13-7-6-12(16)10-14(13)18-3/h6-7,10H,4-5,8-9,11,16H2,1-3H3.
What are the key properties of 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline?
3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline has a molecular weight of 264.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline is sourced from PubChem (CID 58980833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).