N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine

C11H13F4NO — CID 103290253

IUPACN-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
SMILESCNCCCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H13F4NO/c1-16-4-2-3-5-17-11-9(14)7(12)6-8(13)10(11)15/h6,16H,2-5H2,1H3
InChIKeyLUBIAFPLGDPEDB-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.62
Rot. Bonds6

About N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine

N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine (PubChem CID 103290253) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
PubChem CID103290253
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC NameN-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
SMILESCNCCCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H13F4NO/c1-16-4-2-3-5-17-11-9(14)7(12)6-8(13)10(11)15/h6,16H,2-5H2,1H3
InChIKeyLUBIAFPLGDPEDB-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
CID 103289199
2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
CID 103290282
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
CID 103290318
N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]butan-2-amine
CID 103290342
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
N-ethyl-4-(2,3,4,5,6-pentafluorophenoxy)butan-1-amine
CID 62583045
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine?
The IUPAC name of N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine (CID 103290253) is N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine.
What is the SMILES notation for N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine?
The canonical SMILES for N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine is CNCCCCOc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine?
The InChIKey is LUBIAFPLGDPEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-16-4-2-3-5-17-11-9(14)7(12)6-8(13)10(11)15/h6,16H,2-5H2,1H3.
What are the key properties of N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine?
N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine has a molecular weight of 251.22 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine is sourced from PubChem (CID 103290253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).