1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

C16H20N2 — CID 114954748

IUPAC1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccc(CNCc2cnccc2C)c(C)c1
InChIInChI=1S/C16H20N2/c1-12-4-5-15(14(3)8-12)9-18-11-16-10-17-7-6-13(16)2/h4-8,10,18H,9,11H2,1-3H3
InChIKeyNPYPTMJHKQCOTE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 114954748) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
PubChem CID114954748
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccc(CNCc2cnccc2C)c(C)c1
InChIInChI=1S/C16H20N2/c1-12-4-5-15(14(3)8-12)9-18-11-16-10-17-7-6-13(16)2/h4-8,10,18H,9,11H2,1-3H3
InChIKeyNPYPTMJHKQCOTE-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 114954745
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
CID 107741125
[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
CID 71845475
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893614
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
2-fluoro-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 106700569
4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 114955437
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine
CID 103460819
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (CID 114954748) is 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is Cc1ccc(CNCc2cnccc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is NPYPTMJHKQCOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-4-5-15(14(3)8-12)9-18-11-16-10-17-7-6-13(16)2/h4-8,10,18H,9,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114954748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).