N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine

C14H19ClFN — CID 22200451

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine
SMILESCN(Cc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c1-17(11-6-3-2-4-7-11)10-12-13(15)8-5-9-14(12)16/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyZYKKSKKYEDEAPY-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.24
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine (PubChem CID 22200451) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine
PubChem CID22200451
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine
SMILESCN(Cc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c1-17(11-6-3-2-4-7-11)10-12-13(15)8-5-9-14(12)16/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyZYKKSKKYEDEAPY-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine (CID 22200451) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine is CN(Cc1c(F)cccc1Cl)C1CCCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine?
The InChIKey is ZYKKSKKYEDEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-17(11-6-3-2-4-7-11)10-12-13(15)8-5-9-14(12)16/h5,8-9,11H,2-4,6-7,10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine has a molecular weight of 255.76 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 22200451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).