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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(chloromethyl)-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63712784
[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
CID 114067505
3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114072561
2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
CID 124753968
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63713314
5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 114851430
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
4-fluoro-2-N-methyl-2-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726969
3-fluoro-4-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 63711698
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392

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).