2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline

C14H14ClFN2 — CID 43563584

IUPAC2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1ccc(F)cc1CCl
InChIInChI=1S/C14H14ClFN2/c1-18(10-11-3-2-6-17-9-11)14-5-4-13(16)7-12(14)8-15/h2-7,9H,8,10H2,1H3
InChIKeyGIZSCKCMBCZLGH-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.60
Rot. Bonds4

About 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline

2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563584) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563584
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1ccc(F)cc1CCl
InChIInChI=1S/C14H14ClFN2/c1-18(10-11-3-2-6-17-9-11)14-5-4-13(16)7-12(14)8-15/h2-7,9H,8,10H2,1H3
InChIKeyGIZSCKCMBCZLGH-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)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837
2-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313548
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
CID 105067251
4-fluoro-5-methoxy-1-N-methyl-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 55215876
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methyl-4-nitroaniline
CID 28964494
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66099878
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline (CID 43563584) is 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline is CN(Cc1cccnc1)c1ccc(F)cc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is GIZSCKCMBCZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(10-11-3-2-6-17-9-11)14-5-4-13(16)7-12(14)8-15/h2-7,9H,8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline 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)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43563584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).