3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline

C15H25N3O — CID 79304456

IUPAC3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)CC1CCCN1C
InChIInChI=1S/C15H25N3O/c1-17(12-14-6-4-8-18(14)2)9-10-19-15-7-3-5-13(16)11-15/h3,5,7,11,14H,4,6,8-10,12,16H2,1-2H3
InChIKeyAFPUAAAEPGPLTP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.67
Rot. Bonds6

About 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline

3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline (PubChem CID 79304456) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
PubChem CID79304456
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)CC1CCCN1C
InChIInChI=1S/C15H25N3O/c1-17(12-14-6-4-8-18(14)2)9-10-19-15-7-3-5-13(16)11-15/h3,5,7,11,14H,4,6,8-10,12,16H2,1-2H3
InChIKeyAFPUAAAEPGPLTP-UHFFFAOYSA-N
XLogP1.67
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.67
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

2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79303945
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453
2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
CID 79303253
3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
CID 63687916
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
CID 91829662
2-(3-aminophenoxy)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62886053
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001379

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline?
The IUPAC name of 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline (CID 79304456) is 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline.
What is the SMILES notation for 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline?
The canonical SMILES for 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline is CN(CCOc1cccc(N)c1)CC1CCCN1C.
What is the InChIKey of 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline?
The InChIKey is AFPUAAAEPGPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(12-14-6-4-8-18(14)2)9-10-19-15-7-3-5-13(16)11-15/h3,5,7,11,14H,4,6,8-10,12,16H2,1-2H3.
What are the key properties of 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline?
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline has a molecular weight of 263.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline is sourced from PubChem (CID 79304456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).