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

C14H15F2NO — CID 113328695

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
SMILESFC(F)c1cccc(CNCCc2ccco2)c1
InChIInChI=1S/C14H15F2NO/c15-14(16)12-4-1-3-11(9-12)10-17-7-6-13-5-2-8-18-13/h1-5,8-9,14,17H,6-7,10H2
InChIKeyHYAOHEMZIVQNGZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.55
Rot. Bonds6

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

N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine (PubChem CID 113328695) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
PubChem CID113328695
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
SMILESFC(F)c1cccc(CNCCc2ccco2)c1
InChIInChI=1S/C14H15F2NO/c15-14(16)12-4-1-3-11(9-12)10-17-7-6-13-5-2-8-18-13/h1-5,8-9,14,17H,6-7,10H2
InChIKeyHYAOHEMZIVQNGZ-UHFFFAOYSA-N
XLogP3.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.55
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-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
3-[[2-(furan-2-yl)ethylamino]methyl]benzoic acid
CID 103242155
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
CID 115526406
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[(3-bromo-4-methylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 115875898
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43395343
N-[[3-(difluoromethyl)phenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115526517
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
N-[[3-(difluoromethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114187455
N-[[3-(difluoromethyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115526640

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine (CID 113328695) is N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine is FC(F)c1cccc(CNCCc2ccco2)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is HYAOHEMZIVQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c15-14(16)12-4-1-3-11(9-12)10-17-7-6-13-5-2-8-18-13/h1-5,8-9,14,17H,6-7,10H2.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine?
N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 113328695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).