2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline

C11H15ClFN — CID 43313548

IUPAC2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(F)cc1CCl
InChIInChI=1S/C11H15ClFN/c1-3-6-14(2)11-5-4-10(13)7-9(11)8-12/h4-5,7H,3,6,8H2,1-2H3
InChIKeySBMLSTISAANEGE-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.41
Rot. Bonds4

About 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline

2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline (PubChem CID 43313548) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline
PubChem CID43313548
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(F)cc1CCl
InChIInChI=1S/C11H15ClFN/c1-3-6-14(2)11-5-4-10(13)7-9(11)8-12/h4-5,7H,3,6,8H2,1-2H3
InChIKeySBMLSTISAANEGE-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837
2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
2-(chloromethyl)-4-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63567113
2-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584
2-(chloromethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79483553
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
4-fluoro-N-methyl-N-propylaniline
CID 23197529

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline?
The IUPAC name of 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline (CID 43313548) is 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline is CCCN(C)c1ccc(F)cc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline?
The InChIKey is SBMLSTISAANEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-6-14(2)11-5-4-10(13)7-9(11)8-12/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline?
2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline has a molecular weight of 215.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline is sourced from PubChem (CID 43313548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).