N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine

C16H21N3 — CID 55046136

IUPACN-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine
SMILESCNc1ccc(CN(C)Cc2ccccc2C)cn1
InChIInChI=1S/C16H21N3/c1-13-6-4-5-7-15(13)12-19(3)11-14-8-9-16(17-2)18-10-14/h4-10H,11-12H2,1-3H3,(H,17,18)
InChIKeyOKWUNUNTHVIYBD-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.06
Rot. Bonds5

About N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine

N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine (PubChem CID 55046136) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine
PubChem CID55046136
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine
SMILESCNc1ccc(CN(C)Cc2ccccc2C)cn1
InChIInChI=1S/C16H21N3/c1-13-6-4-5-7-15(13)12-19(3)11-14-8-9-16(17-2)18-10-14/h4-10H,11-12H2,1-3H3,(H,17,18)
InChIKeyOKWUNUNTHVIYBD-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 62337350
N-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208786
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62207430
5-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55046066
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62862067
5-[(2,6-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62195101
N,N-diethyl-2-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]acetamide
CID 62207561
N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 55046573
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
N-methyl-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-2-amine
CID 62184630

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine (CID 55046136) is N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine is CNc1ccc(CN(C)Cc2ccccc2C)cn1.
What is the InChIKey of N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine?
The InChIKey is OKWUNUNTHVIYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-6-4-5-7-15(13)12-19(3)11-14-8-9-16(17-2)18-10-14/h4-10H,11-12H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine?
N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 55046136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).