N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine

C11H11BrF5NO — CID 75529839

IUPACN-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
SMILESFC(F)(F)C(F)(F)OCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H11BrF5NO/c12-9-3-1-8(2-4-9)7-18-5-6-19-11(16,17)10(13,14)15/h1-4,18H,5-7H2
InChIKeyTXZZPULCIQSFMY-UHFFFAOYSA-N
MW348.11 g/mol
LogP3.71
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine

N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine (PubChem CID 75529839) has the molecular formula C11H11BrF5NO and a molecular weight of 348.11 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
PubChem CID75529839
Molecular FormulaC11H11BrF5NO
Molecular Weight348.11 g/mol
Exact Mass346.99
IUPAC NameN-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
SMILESFC(F)(F)C(F)(F)OCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H11BrF5NO/c12-9-3-1-8(2-4-9)7-18-5-6-19-11(16,17)10(13,14)15/h1-4,18H,5-7H2
InChIKeyTXZZPULCIQSFMY-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
CID 75529948
N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
CID 75529792
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
N-[(4-bromophenyl)methyl]-3-(trifluoromethylsulfanyl)propan-1-amine
CID 75529857
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489
3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857699
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine (CID 75529839) is N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine is FC(F)(F)C(F)(F)OCCNCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
The InChIKey is TXZZPULCIQSFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF5NO/c12-9-3-1-8(2-4-9)7-18-5-6-19-11(16,17)10(13,14)15/h1-4,18H,5-7H2.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine?
N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine has a molecular weight of 348.11 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine is sourced from PubChem (CID 75529839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).