2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine

C12H16ClF2N — CID 102864838

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClF2N/c1-8(2)12(15,7-16)6-9-4-3-5-10(13)11(9)14/h3-5,8H,6-7,16H2,1-2H3
InChIKeyOREKSOIZFIUNHG-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.34
Rot. Bonds4

About 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine

2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine (PubChem CID 102864838) has the molecular formula C12H16ClF2N and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
PubChem CID102864838
Molecular FormulaC12H16ClF2N
Molecular Weight247.72 g/mol
Exact Mass247.09
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClF2N/c1-8(2)12(15,7-16)6-9-4-3-5-10(13)11(9)14/h3-5,8H,6-7,16H2,1-2H3
InChIKeyOREKSOIZFIUNHG-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-4-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 102863427
1-chloro-3-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-fluorobenzene
CID 102863972
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
2-[(2,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566952
4-[(3-chloro-2-fluorophenyl)methyl]heptan-4-ol
CID 102857067
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
2-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 102863925
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol
CID 67674348
1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
2-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566819

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine (CID 102864838) is 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine is CC(C)C(F)(CN)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine?
The InChIKey is OREKSOIZFIUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N/c1-8(2)12(15,7-16)6-9-4-3-5-10(13)11(9)14/h3-5,8H,6-7,16H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine?
2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine has a molecular weight of 247.72 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 102864838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).