1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine

C12H17BrFN — CID 79701954

IUPAC1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-8(2)12(15)4-3-9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyQOOLRWQAFQLKFD-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine

1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine (PubChem CID 79701954) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
PubChem CID79701954
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-8(2)12(15)4-3-9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyQOOLRWQAFQLKFD-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
CID 79709444
1-bromo-3-(3-bromohexyl)-5-fluorobenzene
CID 79709491
(2S)-4-(3,5-dibromophenyl)butan-2-amine
CID 130719784
6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
CID 79709529
(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
CID 119300582
4-[(3-bromo-5-fluorophenyl)methylsulfanyl]butan-2-amine
CID 79706037
(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
CID 131289439
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
4-(3-bromo-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 79709686
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105169372
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine (CID 79701954) is 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine is CC(C)C(N)CCc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine?
The InChIKey is QOOLRWQAFQLKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-8(2)12(15)4-3-9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine?
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine has a molecular weight of 274.18 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine is sourced from PubChem (CID 79701954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).