2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline

C15H25N3O — CID 115414082

IUPAC2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
SMILESCOc1ccc(CN2CCCC2CN(C)C)c(N)c1
InChIInChI=1S/C15H25N3O/c1-17(2)11-13-5-4-8-18(13)10-12-6-7-14(19-3)9-15(12)16/h6-7,9,13H,4-5,8,10-11,16H2,1-3H3
InChIKeyKXPSSYDNLHHPDI-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds5

About 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline (PubChem CID 115414082) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
PubChem CID115414082
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
SMILESCOc1ccc(CN2CCCC2CN(C)C)c(N)c1
InChIInChI=1S/C15H25N3O/c1-17(2)11-13-5-4-8-18(13)10-12-6-7-14(19-3)9-15(12)16/h6-7,9,13H,4-5,8,10-11,16H2,1-3H3
InChIKeyKXPSSYDNLHHPDI-UHFFFAOYSA-N
XLogP1.80
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.80
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-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 81150092
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-methoxyaniline
CID 82750106
(2-amino-4-methoxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 115413192
1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 115413812
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol
CID 82958700
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842813
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline (CID 115414082) is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline is COc1ccc(CN2CCCC2CN(C)C)c(N)c1.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline?
The InChIKey is KXPSSYDNLHHPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)11-13-5-4-8-18(13)10-12-6-7-14(19-3)9-15(12)16/h6-7,9,13H,4-5,8,10-11,16H2,1-3H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline?
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline has a molecular weight of 263.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline is sourced from PubChem (CID 115414082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).