1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

C14H18BrF4NO — CID 79644821

IUPAC1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)ccc1OCC)C(F)(F)C(F)F
InChIInChI=1S/C14H18BrF4NO/c1-3-7-20-12(14(18,19)13(16)17)10-8-9(15)5-6-11(10)21-4-2/h5-6,8,12-13,20H,3-4,7H2,1-2H3
InChIKeyQWIAZPLHEADGMO-UHFFFAOYSA-N
MW372.20 g/mol
LogP4.79
Rot. Bonds8

About 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (PubChem CID 79644821) has the molecular formula C14H18BrF4NO and a molecular weight of 372.20 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
PubChem CID79644821
Molecular FormulaC14H18BrF4NO
Molecular Weight372.20 g/mol
Exact Mass371.05
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)ccc1OCC)C(F)(F)C(F)F
InChIInChI=1S/C14H18BrF4NO/c1-3-7-20-12(14(18,19)13(16)17)10-8-9(15)5-6-11(10)21-4-2/h5-6,8,12-13,20H,3-4,7H2,1-2H3
InChIKeyQWIAZPLHEADGMO-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 54.79
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-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 79660455
1-(5-bromo-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43493898
N-[1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64553534
1-(4-bromo-2,5-difluorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660900
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518718
N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
N-[1-[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 82976250
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 104657719
N-[1-[5-bromo-2-(3,3-dimethylbutoxy)phenyl]ethyl]propan-1-amine
CID 63500522
(1S)-1-(5-bromo-2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171226083
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (CID 79644821) is 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is CCCNC(c1cc(Br)ccc1OCC)C(F)(F)C(F)F.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The InChIKey is QWIAZPLHEADGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF4NO/c1-3-7-20-12(14(18,19)13(16)17)10-8-9(15)5-6-11(10)21-4-2/h5-6,8,12-13,20H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine has a molecular weight of 372.20 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 79644821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).