N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C14H14F3NO — CID 55021280

IUPACN-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1ccc(CCNCc2ccco2)cc1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-5-3-11(4-6-12)7-8-18-10-13-2-1-9-19-13/h1-6,9,18H,7-8,10H2
InChIKeyMKZLBCRXVRARIY-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.63
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 55021280) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID55021280
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1ccc(CCNCc2ccco2)cc1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-5-3-11(4-6-12)7-8-18-10-13-2-1-9-19-13/h1-6,9,18H,7-8,10H2
InChIKeyMKZLBCRXVRARIY-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 148633925
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
CID 91969457
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 6457238
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 17331094

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 55021280) is N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is FC(F)(F)c1ccc(CCNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MKZLBCRXVRARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)12-5-3-11(4-6-12)7-8-18-10-13-2-1-9-19-13/h1-6,9,18H,7-8,10H2.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 55021280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).