N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine

C15H18N2 — CID 66481440

IUPACN-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine
SMILESCNCc1ccc(Cc2ccncc2)c(C)c1
InChIInChI=1S/C15H18N2/c1-12-9-14(11-16-2)3-4-15(12)10-13-5-7-17-8-6-13/h3-9,16H,10-11H2,1-2H3
InChIKeyZYKLAWSBGZXBIW-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.70
Rot. Bonds4

About N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine

N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine (PubChem CID 66481440) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine
PubChem CID66481440
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine
SMILESCNCc1ccc(Cc2ccncc2)c(C)c1
InChIInChI=1S/C15H18N2/c1-12-9-14(11-16-2)3-4-15(12)10-13-5-7-17-8-6-13/h3-9,16H,10-11H2,1-2H3
InChIKeyZYKLAWSBGZXBIW-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(pyridin-4-ylmethyl)benzaldehyde
CID 81447720
2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
CID 91308032
N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 62136400
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 107454398
4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 118040317
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657
4-fluoro-2-methyl-5-(pyridin-4-ylmethyl)aniline
CID 107593692
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine (CID 66481440) is N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine is CNCc1ccc(Cc2ccncc2)c(C)c1.
What is the InChIKey of N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine?
The InChIKey is ZYKLAWSBGZXBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-9-14(11-16-2)3-4-15(12)10-13-5-7-17-8-6-13/h3-9,16H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine?
N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 66481440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).