N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine

C14H16N2O — CID 975723

IUPACN-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1ccc(CNc2cc(C)ccn2)cc1
InChIInChI=1S/C14H16N2O/c1-11-7-8-15-14(9-11)16-10-12-3-5-13(17-2)6-4-12/h3-9H,10H2,1-2H3,(H,15,16)
InChIKeyUTYBDUHJLJWKLF-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.01
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine

N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 975723) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
PubChem CID975723
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1ccc(CNc2cc(C)ccn2)cc1
InChIInChI=1S/C14H16N2O/c1-11-7-8-15-14(9-11)16-10-12-3-5-13(17-2)6-4-12/h3-9H,10H2,1-2H3,(H,15,16)
InChIKeyUTYBDUHJLJWKLF-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine (CID 975723) is N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine is COc1ccc(CNc2cc(C)ccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is UTYBDUHJLJWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-7-8-15-14(9-11)16-10-12-3-5-13(17-2)6-4-12/h3-9H,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 228.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 975723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).