N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

C12H14F5NO — CID 79660521

IUPACN-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCCNC(c1cc(F)ccc1OC)C(F)(F)C(F)F
InChIInChI=1S/C12H14F5NO/c1-3-18-10(12(16,17)11(14)15)8-6-7(13)4-5-9(8)19-2/h4-6,10-11,18H,3H2,1-2H3
InChIKeyZMWNBAMBPPLJNU-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.39
Rot. Bonds6

About N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 79660521) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID79660521
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC NameN-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCCNC(c1cc(F)ccc1OC)C(F)(F)C(F)F
InChIInChI=1S/C12H14F5NO/c1-3-18-10(12(16,17)11(14)15)8-6-7(13)4-5-9(8)19-2/h4-6,10-11,18H,3H2,1-2H3
InChIKeyZMWNBAMBPPLJNU-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.39
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-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
CID 105330933
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954012
3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 43492217
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257
N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 107503890
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (CID 79660521) is N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is CCNC(c1cc(F)ccc1OC)C(F)(F)C(F)F.
What is the InChIKey of N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is ZMWNBAMBPPLJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-3-18-10(12(16,17)11(14)15)8-6-7(13)4-5-9(8)19-2/h4-6,10-11,18H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 283.24 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 79660521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).