2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline

C14H19ClFNO — CID 114067848

IUPAC2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
SMILESCN(CC1CCCOC1)c1c(F)cccc1CCl
InChIInChI=1S/C14H19ClFNO/c1-17(9-11-4-3-7-18-10-11)14-12(8-15)5-2-6-13(14)16/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyUUUJQMLRNLKZPD-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.43
Rot. Bonds4

About 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline

2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline (PubChem CID 114067848) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
PubChem CID114067848
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
SMILESCN(CC1CCCOC1)c1c(F)cccc1CCl
InChIInChI=1S/C14H19ClFNO/c1-17(9-11-4-3-7-18-10-11)14-12(8-15)5-2-6-13(14)16/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyUUUJQMLRNLKZPD-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.43
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-ethyl-N-(oxolan-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 123270390
N-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
CID 123955660
3-fluoro-N-methyl-N-(2-methylphenyl)oxan-4-amine
CID 173638475
1-[2-(Chloromethyl)-4-fluorophenyl]-4-methylpiperidine
CID 43313490
4-[2-(Chloromethyl)-4-fluorophenyl]morpholine
CID 43313492
4-[2-(Chloromethyl)-4-fluorophenyl]-2,6-dimethylmorpholine
CID 43313497
1-[2-(Chloromethyl)-4-fluorophenyl]-3-methylpiperidine
CID 43313498
4-[2-(Chloromethyl)-4-fluorophenyl]-2-methylmorpholine
CID 43313500
1-[2-(Chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine
CID 43313521
2-(chloromethyl)-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 43313549
2-(chloromethyl)-N-ethyl-4-fluoro-N-(2-methylpropyl)aniline
CID 43313551
2-(chloromethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43313554

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
The IUPAC name of 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline (CID 114067848) is 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline is CN(CC1CCCOC1)c1c(F)cccc1CCl.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
The InChIKey is UUUJQMLRNLKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17(9-11-4-3-7-18-10-11)14-12(8-15)5-2-6-13(14)16/h2,5-6,11H,3-4,7-10H2,1H3.
What are the key properties of 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline?
2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline has a molecular weight of 271.76 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline is sourced from PubChem (CID 114067848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).