2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

C13H19BrFN — CID 83160097

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-9(2)13(3,8-16)7-10-6-11(15)4-5-12(10)14/h4-6,9H,7-8,16H2,1-3H3
InChIKeySYVCZSGIWMXSLU-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.75
Rot. Bonds4

About 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 83160097) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID83160097
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-9(2)13(3,8-16)7-10-6-11(15)4-5-12(10)14/h4-6,9H,7-8,16H2,1-3H3
InChIKeySYVCZSGIWMXSLU-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-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

2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151219
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
2-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 63509190
3-[(2-bromo-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226350
3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 62723348
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
1-[(2-bromo-5-fluorophenyl)methylsulfanyl]propan-2-amine
CID 66217735
1-bromo-2-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzene
CID 66050911
2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
CID 84730326
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (CID 83160097) is 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)(CN)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is SYVCZSGIWMXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)13(3,8-16)7-10-6-11(15)4-5-12(10)14/h4-6,9H,7-8,16H2,1-3H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83160097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).