N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine

C16H18F3NO — CID 63398755

IUPACN-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H18F3NO/c1-3-10-20-11(2)14-8-9-15(21-14)12-4-6-13(7-5-12)16(17,18)19/h4-9,11,20H,3,10H2,1-2H3
InChIKeyGYWYRFDBNZTWNH-UHFFFAOYSA-N
MW297.32 g/mol
LogP5.03
Rot. Bonds5

About N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine

N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine (PubChem CID 63398755) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
PubChem CID63398755
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H18F3NO/c1-3-10-20-11(2)14-8-9-15(21-14)12-4-6-13(7-5-12)16(17,18)19/h4-9,11,20H,3,10H2,1-2H3
InChIKeyGYWYRFDBNZTWNH-UHFFFAOYSA-N
XLogP5.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 63399021
N-[1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 107577114
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine
CID 65489059
N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398850
1-[5-(4-propan-2-ylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 63398585
N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183321
N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 62499557
1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate
CID 174586618
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine (CID 63398755) is N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine?
The InChIKey is GYWYRFDBNZTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-10-20-11(2)14-8-9-15(21-14)12-4-6-13(7-5-12)16(17,18)19/h4-9,11,20H,3,10H2,1-2H3.
What are the key properties of N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine?
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63398755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).