N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine

C8H11ClN2 — CID 115263261

IUPACN-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(CCl)Cc1ccncc1
InChIInChI=1S/C8H11ClN2/c1-11(7-9)6-8-2-4-10-5-3-8/h2-5H,6-7H2,1H3
InChIKeyIUAUPMAZBHJPDR-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.71
Rot. Bonds3

About N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine

N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 115263261) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID115263261
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC NameN-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(CCl)Cc1ccncc1
InChIInChI=1S/C8H11ClN2/c1-11(7-9)6-8-2-4-10-5-3-8/h2-5H,6-7H2,1H3
InChIKeyIUAUPMAZBHJPDR-UHFFFAOYSA-N
XLogP1.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
N-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682
9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
CID 105344064
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
N-methyl-N-(pyridin-4-ylmethyl)ethynamine
CID 69190332
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 100910771
trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
CID 106745748

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine (CID 115263261) is N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine is CN(CCl)Cc1ccncc1.
What is the InChIKey of N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is IUAUPMAZBHJPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11(7-9)6-8-2-4-10-5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine?
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 170.64 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 115263261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).