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

C13H16BrF4NO — CID 103475696

IUPAC1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1ccc(Br)cc1
InChIInChI=1S/C13H16BrF4NO/c1-19-11(6-9-2-4-10(14)5-3-9)7-20-8-13(17,18)12(15)16/h2-5,11-12,19H,6-8H2,1H3
InChIKeyJPYJAGKOQONCEP-UHFFFAOYSA-N
MW358.17 g/mol
LogP3.50
Rot. Bonds8

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

1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475696) has the molecular formula C13H16BrF4NO and a molecular weight of 358.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475696
Molecular FormulaC13H16BrF4NO
Molecular Weight358.17 g/mol
Exact Mass357.04
IUPAC Name1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1ccc(Br)cc1
InChIInChI=1S/C13H16BrF4NO/c1-19-11(6-9-2-4-10(14)5-3-9)7-20-8-13(17,18)12(15)16/h2-5,11-12,19H,6-8H2,1H3
InChIKeyJPYJAGKOQONCEP-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475617
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475480
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475568
1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475554
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477886
N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475397
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216239
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
[1-(2,2,3,3-tetrafluoropropoxy)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 103477736
1-(furan-3-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216126

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475696) is 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CNC(COCC(F)(F)C(F)F)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is JPYJAGKOQONCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF4NO/c1-19-11(6-9-2-4-10(14)5-3-9)7-20-8-13(17,18)12(15)16/h2-5,11-12,19H,6-8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 358.17 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).