4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline

C15H18N2O — CID 102880846

IUPAC4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(NCc2cncc(C)c2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-6-13(9-16-8-11)10-17-15-5-4-14(18-3)7-12(15)2/h4-9,17H,10H2,1-3H3
InChIKeyMIFUCBUPHOYAAJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds4

About 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline

4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (PubChem CID 102880846) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
PubChem CID102880846
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(NCc2cncc(C)c2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-6-13(9-16-8-11)10-17-15-5-4-14(18-3)7-12(15)2/h4-9,17H,10H2,1-3H3
InChIKeyMIFUCBUPHOYAAJ-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
4-methoxy-2-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407677
4-methoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66119597
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
3-bromo-5-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881005
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-2-methylaniline
CID 62872974
methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
CID 126832263

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (CID 102880846) is 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is COc1ccc(NCc2cncc(C)c2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is MIFUCBUPHOYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-13(9-16-8-11)10-17-15-5-4-14(18-3)7-12(15)2/h4-9,17H,10H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 242.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 102880846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).