3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine

C14H14ClFN2 — CID 61413458

IUPAC3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncccc1CCl
InChIInChI=1S/C14H14ClFN2/c1-18(10-11-4-6-13(16)7-5-11)14-12(9-15)3-2-8-17-14/h2-8H,9-10H2,1H3
InChIKeyNZIYXCYNOFHJDN-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.60
Rot. Bonds4

About 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine

3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 61413458) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
PubChem CID61413458
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncccc1CCl
InChIInChI=1S/C14H14ClFN2/c1-18(10-11-4-6-13(16)7-5-11)14-12(9-15)3-2-8-17-14/h2-8H,9-10H2,1H3
InChIKeyNZIYXCYNOFHJDN-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.60
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

3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 171702410
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503
3-(chloromethyl)-2-fluoropyridine
CID 22641304
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62294438
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 61255367
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62283984
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 119132066

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine (CID 61413458) is 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine is CN(Cc1ccc(F)cc1)c1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is NZIYXCYNOFHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(10-11-4-6-13(16)7-5-11)14-12(9-15)3-2-8-17-14/h2-8H,9-10H2,1H3.
What are the key properties of 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 264.73 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 61413458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).