1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine

C16H18F3NO — CID 43692929

IUPAC1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO/c1-11(10-15-4-3-9-21-15)20-12(2)13-5-7-14(8-6-13)16(17,18)19/h3-9,11-12,20H,10H2,1-2H3
InChIKeyXVJLXHWTKMPIOL-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.58
Rot. Bonds5

About 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine

1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine (PubChem CID 43692929) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
PubChem CID43692929
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO/c1-11(10-15-4-3-9-21-15)20-12(2)13-5-7-14(8-6-13)16(17,18)19/h3-9,11-12,20H,10H2,1-2H3
InChIKeyXVJLXHWTKMPIOL-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 106209160
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine (CID 43692929) is 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine is CC(Cc1ccco1)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is XVJLXHWTKMPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-11(10-15-4-3-9-21-15)20-12(2)13-5-7-14(8-6-13)16(17,18)19/h3-9,11-12,20H,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine?
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.58, 5 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-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 43692929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).