N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine

C13H19BrFN — CID 43371868

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)6-10(3)16-8-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyBJTHLOOYAAPHQD-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.11
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine

N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine (PubChem CID 43371868) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
PubChem CID43371868
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)6-10(3)16-8-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyBJTHLOOYAAPHQD-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
2-[(3-bromo-4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 61246252
1-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 107859065
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011
methyl (2S)-2-[(3-bromo-4-fluorophenyl)methylamino]propanoate
CID 43723685
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine (CID 43371868) is N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine is CC(C)CC(C)NCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is BJTHLOOYAAPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)6-10(3)16-8-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,6,8H2,1-3H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43371868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).