4-(chloromethyl)-N,N-dimethylpyridin-3-amine

C8H11ClN2 — CID 105067273

IUPAC4-(chloromethyl)-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cnccc1CCl
InChIInChI=1S/C8H11ClN2/c1-11(2)8-6-10-4-3-7(8)5-9/h3-4,6H,5H2,1-2H3
InChIKeyOJUJHDAHVSVLSD-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.89
Rot. Bonds2

About 4-(chloromethyl)-N,N-dimethylpyridin-3-amine

4-(chloromethyl)-N,N-dimethylpyridin-3-amine (PubChem CID 105067273) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-dimethylpyridin-3-amine
PubChem CID105067273
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-(chloromethyl)-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cnccc1CCl
InChIInChI=1S/C8H11ClN2/c1-11(2)8-6-10-4-3-7(8)5-9/h3-4,6H,5H2,1-2H3
InChIKeyOJUJHDAHVSVLSD-UHFFFAOYSA-N
XLogP1.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105067321
4-bromo-N,N-dimethylpyridin-3-amine
CID 23436877
N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
CID 105067251
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 105067315
4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 105067467
4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
CID 105067384
3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81237062
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671
N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81238160
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,N-dimethylpyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N,N-dimethylpyridin-3-amine (CID 105067273) is 4-(chloromethyl)-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N,N-dimethylpyridin-3-amine is CN(C)c1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)-N,N-dimethylpyridin-3-amine?
The InChIKey is OJUJHDAHVSVLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11(2)8-6-10-4-3-7(8)5-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,N-dimethylpyridin-3-amine?
4-(chloromethyl)-N,N-dimethylpyridin-3-amine has a molecular weight of 170.64 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 105067273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).