[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine

C16H21N3 — CID 63887247

IUPAC[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccnc(CN)c2)cc1
InChIInChI=1S/C16H21N3/c1-13-3-5-14(6-4-13)11-19(2)12-15-7-8-18-16(9-15)10-17/h3-9H,10-12,17H2,1-2H3
InChIKeyVFIRAFHYABSVTD-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.48
Rot. Bonds5

About [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine

[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine (PubChem CID 63887247) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
PubChem CID63887247
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccnc(CN)c2)cc1
InChIInChI=1S/C16H21N3/c1-13-3-5-14(6-4-13)11-19(2)12-15-7-8-18-16(9-15)10-17/h3-9H,10-12,17H2,1-2H3
InChIKeyVFIRAFHYABSVTD-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63887253
2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]ethanol
CID 63888237
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 63886876
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
N-methyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]methanamine
CID 91342631
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
CID 63887639
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine
CID 91424656
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 62183230
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 63886661
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine (CID 63887247) is [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine is Cc1ccc(CN(C)Cc2ccnc(CN)c2)cc1.
What is the InChIKey of [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine?
The InChIKey is VFIRAFHYABSVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-3-5-14(6-4-13)11-19(2)12-15-7-8-18-16(9-15)10-17/h3-9H,10-12,17H2,1-2H3.
What are the key properties of [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine?
[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63887247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).