2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline

C15H25N3O — CID 63272706

IUPAC2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
SMILESCOc1ccc(CN(C)CC2CCN(C)C2)cc1N
InChIInChI=1S/C15H25N3O/c1-17-7-6-13(10-17)11-18(2)9-12-4-5-15(19-3)14(16)8-12/h4-5,8,13H,6-7,9-11,16H2,1-3H3
InChIKeyKOOPIZYLAFBJQF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.66
Rot. Bonds5

About 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline

2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline (PubChem CID 63272706) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
PubChem CID63272706
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
SMILESCOc1ccc(CN(C)CC2CCN(C)C2)cc1N
InChIInChI=1S/C15H25N3O/c1-17-7-6-13(10-17)11-18(2)9-12-4-5-15(19-3)14(16)8-12/h4-5,8,13H,6-7,9-11,16H2,1-3H3
InChIKeyKOOPIZYLAFBJQF-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
CID 63233491
4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
CID 63273928
4-chloro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 79582729
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61425653
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline?
The IUPAC name of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline (CID 63272706) is 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline is COc1ccc(CN(C)CC2CCN(C)C2)cc1N.
What is the InChIKey of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline?
The InChIKey is KOOPIZYLAFBJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-7-6-13(10-17)11-18(2)9-12-4-5-15(19-3)14(16)8-12/h4-5,8,13H,6-7,9-11,16H2,1-3H3.
What are the key properties of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline?
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline has a molecular weight of 263.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 63272706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).