1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine

C16H18F3NO3 — CID 119106566

IUPAC1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
SMILESCCOc1cc(CNCc2ccco2)ccc1OCC(F)(F)F
InChIInChI=1S/C16H18F3NO3/c1-2-21-15-8-12(9-20-10-13-4-3-7-22-13)5-6-14(15)23-11-16(17,18)19/h3-8,20H,2,9-11H2,1H3
InChIKeyULOMZBISWBZPSP-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.91
Rot. Bonds8

About 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine

1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine (PubChem CID 119106566) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
PubChem CID119106566
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
SMILESCCOc1cc(CNCc2ccco2)ccc1OCC(F)(F)F
InChIInChI=1S/C16H18F3NO3/c1-2-21-15-8-12(9-20-10-13-4-3-7-22-13)5-6-14(15)23-11-16(17,18)19/h3-8,20H,2,9-11H2,1H3
InChIKeyULOMZBISWBZPSP-UHFFFAOYSA-N
XLogP3.91
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
N-tert-butyl-2-[2-ethoxy-4-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17331695
1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 171155021
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119123734
3-[[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]methyl]-N-methylbenzamide
CID 119106804
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119106619
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 119106608

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine (CID 119106566) is 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine is CCOc1cc(CNCc2ccco2)ccc1OCC(F)(F)F.
What is the InChIKey of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
The InChIKey is ULOMZBISWBZPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-2-21-15-8-12(9-20-10-13-4-3-7-22-13)5-6-14(15)23-11-16(17,18)19/h3-8,20H,2,9-11H2,1H3.
What are the key properties of 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine?
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine has a molecular weight of 329.32 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 119106566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).