4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline

C15H20BrF2N — CID 107081456

IUPAC4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
SMILESCN(CC1CCCCC1)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C15H20BrF2N/c1-19(10-11-5-3-2-4-6-11)15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,2-6,9-10H2,1H3
InChIKeyHHWBIRDUIZAJIU-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.88
Rot. Bonds4

About 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline

4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline (PubChem CID 107081456) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
PubChem CID107081456
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
SMILESCN(CC1CCCCC1)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C15H20BrF2N/c1-19(10-11-5-3-2-4-6-11)15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,2-6,9-10H2,1H3
InChIKeyHHWBIRDUIZAJIU-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline (CID 107081456) is 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline is CN(CC1CCCCC1)c1c(F)cc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline?
The InChIKey is HHWBIRDUIZAJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-19(10-11-5-3-2-4-6-11)15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline?
4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline has a molecular weight of 332.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 107081456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).