(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine

C12H17BrFN — CID 171204972

IUPAC(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine
SMILESCc1cc(Br)cc([C@H](N)CC(C)C)c1F
InChIInChI=1S/C12H17BrFN/c1-7(2)4-11(15)10-6-9(13)5-8(3)12(10)14/h5-7,11H,4,15H2,1-3H3/t11-/m1/s1
InChIKeyRPWYKXUCVMMXKI-LLVKDONJSA-N
MW274.18 g/mol
LogP3.94
Rot. Bonds3

About (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine

(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine (PubChem CID 171204972) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine
PubChem CID171204972
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine
SMILESCc1cc(Br)cc([C@H](N)CC(C)C)c1F
InChIInChI=1S/C12H17BrFN/c1-7(2)4-11(15)10-6-9(13)5-8(3)12(10)14/h5-7,11H,4,15H2,1-3H3/t11-/m1/s1
InChIKeyRPWYKXUCVMMXKI-LLVKDONJSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130731681
(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171204956
(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)butane-1,4-diamine
CID 171224532
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)pentane-1,5-diamine
CID 171204961
5-bromo-1-(1-bromoethyl)-2-fluoro-3-methylbenzene
CID 130140651
ethyl 3-amino-3-(5-bromo-2-fluoro-3-methylphenyl)propanoate;hydrochloride
CID 175588063
4-amino-4-(5-bromo-2-fluoro-3-methylphenyl)butanoic acid
CID 117468252
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390
1-[(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171164572
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine (CID 171204972) is (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine is Cc1cc(Br)cc([C@H](N)CC(C)C)c1F.
What is the InChIKey of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is RPWYKXUCVMMXKI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-7(2)4-11(15)10-6-9(13)5-8(3)12(10)14/h5-7,11H,4,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine?
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 171204972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).