1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

C14H14F3NO — CID 62717333

IUPAC1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C14H14F3NO/c1-18-12(13-6-3-7-19-13)9-10-4-2-5-11(8-10)14(15,16)17/h2-8,12,18H,9H2,1H3
InChIKeyMPCRTLZKYXWLDG-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.80
Rot. Bonds4

About 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62717333) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID62717333
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C14H14F3NO/c1-18-12(13-6-3-7-19-13)9-10-4-2-5-11(8-10)14(15,16)17/h2-8,12,18H,9H2,1H3
InChIKeyMPCRTLZKYXWLDG-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115830875
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65352414
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090
N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 66273581
[1-(furan-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105235150
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 103405485
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 62717333) is 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MPCRTLZKYXWLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-18-12(13-6-3-7-19-13)9-10-4-2-5-11(8-10)14(15,16)17/h2-8,12,18H,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62717333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).