N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine

C12H18F3NO2 — CID 82791959

IUPACN-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
SMILESCNCc1cc(COCCCC(F)(F)F)oc1C
InChIInChI=1S/C12H18F3NO2/c1-9-10(7-16-2)6-11(18-9)8-17-5-3-4-12(13,14)15/h6,16H,3-5,7-8H2,1-2H3
InChIKeyZNYYOWOFJOEZIN-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.17
Rot. Bonds7

About N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine

N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine (PubChem CID 82791959) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
PubChem CID82791959
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC NameN-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
SMILESCNCc1cc(COCCCC(F)(F)F)oc1C
InChIInChI=1S/C12H18F3NO2/c1-9-10(7-16-2)6-11(18-9)8-17-5-3-4-12(13,14)15/h6,16H,3-5,7-8H2,1-2H3
InChIKeyZNYYOWOFJOEZIN-UHFFFAOYSA-N
XLogP3.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methanamine
CID 82956639
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750
N-methyl-1-[2-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62456148
1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 82006511
2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
CID 82791894
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 63937390
N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine
CID 62457187
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
CID 82790045
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine (CID 82791959) is N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine is CNCc1cc(COCCCC(F)(F)F)oc1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine?
The InChIKey is ZNYYOWOFJOEZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-9-10(7-16-2)6-11(18-9)8-17-5-3-4-12(13,14)15/h6,16H,3-5,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine?
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine has a molecular weight of 265.27 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 82791959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).