2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride

C8H13Cl3N2 — CID 154776295

IUPAC2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
SMILESCN(C)c1ccnc(CCl)c1.Cl.Cl
InChIInChI=1S/C8H11ClN2.2ClH/c1-11(2)8-3-4-10-7(5-8)6-9;;/h3-5H,6H2,1-2H3;2*1H
InChIKeyBBTSSHTWFBGFEB-UHFFFAOYSA-N
MW243.56 g/mol
LogP2.73
Rot. Bonds2

About 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride

2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride (PubChem CID 154776295) has the molecular formula C8H13Cl3N2 and a molecular weight of 243.56 g/mol. Its IUPAC name is 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
PubChem CID154776295
Molecular FormulaC8H13Cl3N2
Molecular Weight243.56 g/mol
Exact Mass242.01
IUPAC Name2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
SMILESCN(C)c1ccnc(CCl)c1.Cl.Cl
InChIInChI=1S/C8H11ClN2.2ClH/c1-11(2)8-3-4-10-7(5-8)6-9;;/h3-5H,6H2,1-2H3;2*1H
InChIKeyBBTSSHTWFBGFEB-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.56
LogP ≤ 52.73
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

N,N-dimethyl-2-propylpyridin-4-amine
CID 154100065
2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine
CID 70895333
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503
2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine
CID 55002534
2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide
CID 83878916
2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63691033
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine
CID 62747252
2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine
CID 102524440
2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine
CID 90164810
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride?
The IUPAC name of 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride (CID 154776295) is 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride.
What is the SMILES notation for 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride?
The canonical SMILES for 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride is CN(C)c1ccnc(CCl)c1.Cl.Cl.
What is the InChIKey of 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride?
The InChIKey is BBTSSHTWFBGFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2.2ClH/c1-11(2)8-3-4-10-7(5-8)6-9;;/h3-5H,6H2,1-2H3;2*1H.
What are the key properties of 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride?
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride has a molecular weight of 243.56 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride is sourced from PubChem (CID 154776295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).