1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C13H15BrF5NO — CID 103475480

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H15BrF5NO/c1-20-9(6-21-7-13(18,19)12(16)17)4-8-2-3-11(15)10(14)5-8/h2-3,5,9,12,20H,4,6-7H2,1H3
InChIKeyFTHBEPIFEKBBGY-UHFFFAOYSA-N
MW376.16 g/mol
LogP3.64
Rot. Bonds8

About 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475480) has the molecular formula C13H15BrF5NO and a molecular weight of 376.16 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475480
Molecular FormulaC13H15BrF5NO
Molecular Weight376.16 g/mol
Exact Mass375.03
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H15BrF5NO/c1-20-9(6-21-7-13(18,19)12(16)17)4-8-2-3-11(15)10(14)5-8/h2-3,5,9,12,20H,4,6-7H2,1H3
InChIKeyFTHBEPIFEKBBGY-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-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

1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475696
1-(3-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475617
1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475554
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475568
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
1-(3-bromo-4-fluorophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115818913
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
1-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477886
4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine
CID 62318731

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475480) is 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CNC(COCC(F)(F)C(F)F)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is FTHBEPIFEKBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF5NO/c1-20-9(6-21-7-13(18,19)12(16)17)4-8-2-3-11(15)10(14)5-8/h2-3,5,9,12,20H,4,6-7H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 376.16 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).