2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine

C11H14BrF2N — CID 112565924

IUPAC2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine
SMILESCCC(F)(CN)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrF2N/c1-2-11(14,7-15)6-8-3-4-10(13)9(12)5-8/h3-5H,2,6-7,15H2,1H3
InChIKeyNHBSNUIITQMNIJ-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.21
Rot. Bonds4

About 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine

2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine (PubChem CID 112565924) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine
PubChem CID112565924
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine
SMILESCCC(F)(CN)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrF2N/c1-2-11(14,7-15)6-8-3-4-10(13)9(12)5-8/h3-5H,2,6-7,15H2,1H3
InChIKeyNHBSNUIITQMNIJ-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-1-(3-bromo-4-fluorophenyl)butan-2-ol
CID 79007506
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120
2-[(4-chloro-3-methylphenyl)methyl]-2-fluorobutan-1-amine
CID 165484448
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
1-(3-bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 63273009
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
3-(3-bromo-4-fluorophenyl)-2,2-dimethylpropanal
CID 130631347
2-[(3-bromo-4-fluorophenyl)methyl]-2-(4-bromophenyl)propane-1,3-diol
CID 79445490
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine (CID 112565924) is 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine is CCC(F)(CN)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine?
The InChIKey is NHBSNUIITQMNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-2-11(14,7-15)6-8-3-4-10(13)9(12)5-8/h3-5H,2,6-7,15H2,1H3.
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine?
2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine is sourced from PubChem (CID 112565924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).