4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline

C16H21N3O — CID 106906232

IUPAC4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
SMILESCNCc1cccc(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H21N3O/c1-17-11-13-5-4-6-14(18-13)12-19(2)15-7-9-16(20-3)10-8-15/h4-10,17H,11-12H2,1-3H3
InChIKeySIDXUBXGJCXLGT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.45
Rot. Bonds6

About 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline

4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline (PubChem CID 106906232) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
PubChem CID106906232
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
SMILESCNCc1cccc(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H21N3O/c1-17-11-13-5-4-6-14(18-13)12-19(2)15-7-9-16(20-3)10-8-15/h4-10,17H,11-12H2,1-3H3
InChIKeySIDXUBXGJCXLGT-UHFFFAOYSA-N
XLogP2.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243198
N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
CID 79243024
4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
CID 106906209
(2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine
CID 155701454
1-[6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 62291688
1-methoxy-N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106906404
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
N-methyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine
CID 62282188
N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
CID 106907286
N,N-dimethyl-6-(methylaminomethyl)pyridin-2-amine
CID 62280515
N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 106906849

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline (CID 106906232) is 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline is CNCc1cccc(CN(C)c2ccc(OC)cc2)n1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline?
The InChIKey is SIDXUBXGJCXLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-11-13-5-4-6-14(18-13)12-19(2)15-7-9-16(20-3)10-8-15/h4-10,17H,11-12H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline?
4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 106906232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).