1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine

C11H15ClFN — CID 115347398

IUPAC1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFN/c1-7(2)11(14)6-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyGPSXIPTZFJNJAB-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.00
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine

1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 115347398) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
PubChem CID115347398
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFN/c1-7(2)11(14)6-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyGPSXIPTZFJNJAB-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-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 83230541
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 59670759
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116
(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 62717943
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine (CID 115347398) is 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine is CC(C)C(N)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is GPSXIPTZFJNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7(2)11(14)6-8-3-4-9(12)10(13)5-8/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine?
1-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 115347398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).