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

C14H14ClFN2 — CID 61413503

IUPAC2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1ccnc(CCl)c1
InChIInChI=1S/C14H14ClFN2/c1-18(10-11-2-4-12(16)5-3-11)14-6-7-17-13(8-14)9-15/h2-8H,9-10H2,1H3
InChIKeySQWCPFBTLOIBFB-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.60
Rot. Bonds4

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

2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 61413503) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
PubChem CID61413503
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1ccnc(CCl)c1
InChIInChI=1S/C14H14ClFN2/c1-18(10-11-2-4-12(16)5-3-11)14-6-7-17-13(8-14)9-15/h2-8H,9-10H2,1H3
InChIKeySQWCPFBTLOIBFB-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

2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
[4-[(4-chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 61415178
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255837
3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61413458
2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine
CID 79244666
N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 62287139
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62280879
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287320

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine (CID 61413503) is 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine is CN(Cc1ccc(F)cc1)c1ccnc(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is SQWCPFBTLOIBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(10-11-2-4-12(16)5-3-11)14-6-7-17-13(8-14)9-15/h2-8H,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-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 2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 61413503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).