2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine

C11H15ClFN — CID 83835796

IUPAC2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-11(2,7-14)9-6-8(13)4-5-10(9)12/h4-6H,3,7,14H2,1-2H3
InChIKeyMSABYRJWSRPIMH-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine

2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 83835796) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
PubChem CID83835796
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-11(2,7-14)9-6-8(13)4-5-10(9)12/h4-6H,3,7,14H2,1-2H3
InChIKeyMSABYRJWSRPIMH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
CID 105396365
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CID 105394104
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 105394112
2-(2-chloro-4-fluorophenyl)-2-ethoxypropan-1-amine
CID 66071336
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 83819577
1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
CID 164667498
2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048216

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine (CID 83835796) is 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine is CCC(C)(CN)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is MSABYRJWSRPIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-11(2,7-14)9-6-8(13)4-5-10(9)12/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine?
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 83835796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).