N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine

C15H16F3NO — CID 43624682

IUPACN-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H16F3NO/c1-2-9-19-10-11-7-8-14(20-11)12-5-3-4-6-13(12)15(16,17)18/h3-8,19H,2,9-10H2,1H3
InChIKeyMYKKYYMGDURAPB-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.47
Rot. Bonds5

About N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 43624682) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
PubChem CID43624682
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H16F3NO/c1-2-9-19-10-11-7-8-14(20-11)12-5-3-4-6-13(12)15(16,17)18/h3-8,19H,2,9-10H2,1H3
InChIKeyMYKKYYMGDURAPB-UHFFFAOYSA-N
XLogP4.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.47
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

N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 64855525
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
CID 170889105
3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 170887550
N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750
N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 62113001
N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 55119419

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine (CID 43624682) is N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is MYKKYYMGDURAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-2-9-19-10-11-7-8-14(20-11)12-5-3-4-6-13(12)15(16,17)18/h3-8,19H,2,9-10H2,1H3.
What are the key properties of N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 283.29 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 43624682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).