4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline

C17H23N3O — CID 63060220

IUPAC4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCOCCNCc1ccc(N(C)Cc2ccccn2)cc1
InChIInChI=1S/C17H23N3O/c1-20(14-16-5-3-4-10-19-16)17-8-6-15(7-9-17)13-18-11-12-21-2/h3-10,18H,11-14H2,1-2H3
InChIKeyRDFYFWNFEDHCLY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.45
Rot. Bonds8

About 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline

4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 63060220) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID63060220
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCOCCNCc1ccc(N(C)Cc2ccccn2)cc1
InChIInChI=1S/C17H23N3O/c1-20(14-16-5-3-4-10-19-16)17-8-6-15(7-9-17)13-18-11-12-21-2/h3-10,18H,11-14H2,1-2H3
InChIKeyRDFYFWNFEDHCLY-UHFFFAOYSA-N
XLogP2.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786816
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
1-[[4-(dimethylamino)phenyl]methyl]-3-(3-methoxypropyl)-1-(pyridin-2-ylmethyl)thiourea
CID 5210636

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 63060220) is 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline is COCCNCc1ccc(N(C)Cc2ccccn2)cc1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is RDFYFWNFEDHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(14-16-5-3-4-10-19-16)17-8-6-15(7-9-17)13-18-11-12-21-2/h3-10,18H,11-14H2,1-2H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 63060220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).