1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine

C11H15ClFN — CID 82805455

IUPAC1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-7(2)10(14)6-8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3
InChIKeyWNZLMDPJBIQVEM-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine

1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 82805455) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
PubChem CID82805455
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-7(2)10(14)6-8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3
InChIKeyWNZLMDPJBIQVEM-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
4-amino-1-(3-chloro-2-fluorophenyl)-5-methylhexan-2-one
CID 102865298
1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine
CID 102857957
1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780
1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
CID 102858323
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene
CID 102862274
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-amine
CID 102866354
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine (CID 82805455) is 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine is CC(C)C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is WNZLMDPJBIQVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7(2)10(14)6-8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 82805455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).