3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine

C10H14F3NO — CID 115892146

IUPAC3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCc1ccoc1C(C)NCCC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7-3-6-15-9(7)8(2)14-5-4-10(11,12)13/h3,6,8,14H,4-5H2,1-2H3
InChIKeyYAKJDJUINYYAEV-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.19
Rot. Bonds4

About 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine

3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 115892146) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID115892146
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCc1ccoc1C(C)NCCC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7-3-6-15-9(7)8(2)14-5-4-10(11,12)13/h3,6,8,14H,4-5H2,1-2H3
InChIKeyYAKJDJUINYYAEV-UHFFFAOYSA-N
XLogP3.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
CID 115892086
1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 115867921
(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
CID 97101602
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334
N-[1-(3,5-dimethylphenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81343670
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
CID 107706521
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol
CID 115920447
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
CID 63226241

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine (CID 115892146) is 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine is Cc1ccoc1C(C)NCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is YAKJDJUINYYAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7-3-6-15-9(7)8(2)14-5-4-10(11,12)13/h3,6,8,14H,4-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 221.22 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115892146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).