4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine

C11H15ClFN — CID 82113720

IUPAC4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-11(2,14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeySAUHKPGHCZNIRM-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.15
Rot. Bonds3

About 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine

4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine (PubChem CID 82113720) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
PubChem CID82113720
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-11(2,14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeySAUHKPGHCZNIRM-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
1-[(2-chloro-6-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
CID 81188182
1-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methylhydrazine
CID 82282557
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
1-chloro-2-(3,3-dimethylbutylsulfanylmethyl)-3-fluorobenzene
CID 58974839
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
3-[(2-chloro-6-fluorophenyl)methyl]heptan-3-amine
CID 65020419
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457
6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine (CID 82113720) is 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine is CC(C)(N)CCc1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine?
The InChIKey is SAUHKPGHCZNIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,14)7-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine?
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 82113720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).