2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

C15H23N3O — CID 55231767

IUPAC2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESCOc1cc(N2CCC(N3CCCC3)C2)ccc1N
InChIInChI=1S/C15H23N3O/c1-19-15-10-12(4-5-14(15)16)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,10,13H,2-3,6-9,11,16H2,1H3
InChIKeyDPMPDDKLPVXECO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds3

About 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 55231767) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID55231767
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESCOc1cc(N2CCC(N3CCCC3)C2)ccc1N
InChIInChI=1S/C15H23N3O/c1-19-15-10-12(4-5-14(15)16)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,10,13H,2-3,6-9,11,16H2,1H3
InChIKeyDPMPDDKLPVXECO-UHFFFAOYSA-N
XLogP1.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
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

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyaniline
CID 70565510
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol
CID 68752102
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
CID 166656430
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxyaniline
CID 79932420
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-ethoxyaniline
CID 124709079
2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
CID 57416151
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (CID 55231767) is 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is COc1cc(N2CCC(N3CCCC3)C2)ccc1N.
What is the InChIKey of 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is DPMPDDKLPVXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-15-10-12(4-5-14(15)16)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,10,13H,2-3,6-9,11,16H2,1H3.
What are the key properties of 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 261.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 55231767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).