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

C13H19BrFN — CID 62724903

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-3-13(4-2,9-16)8-10-5-6-11(15)7-12(10)14/h5-7H,3-4,8-9,16H2,1-2H3
InChIKeyRFLQCCCAQXBZTH-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.90
Rot. Bonds5

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

2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine (PubChem CID 62724903) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
PubChem CID62724903
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-3-13(4-2,9-16)8-10-5-6-11(15)7-12(10)14/h5-7H,3-4,8-9,16H2,1-2H3
InChIKeyRFLQCCCAQXBZTH-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzene
CID 66050911
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189
5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 64716995
2-[2,2-bis(bromomethyl)butyl]-1,4-difluorobenzene
CID 79455392
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 106271309
1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine
CID 64574241
4-(2-bromo-4-fluorophenyl)-3,3-dimethylbutanoic acid
CID 81004360
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713553
N-[(2-bromo-4-fluorophenyl)methyl]-1-chloro-2-(chloromethyl)butan-2-amine
CID 107867058
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine (CID 62724903) is 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine is CCC(CC)(CN)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine?
The InChIKey is RFLQCCCAQXBZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-13(4-2,9-16)8-10-5-6-11(15)7-12(10)14/h5-7H,3-4,8-9,16H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine?
2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 62724903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).