N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C16H18F3NO — CID 62698331

IUPACN-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C16H18F3NO/c1-2-8-20-14(15-7-4-9-21-15)11-12-5-3-6-13(10-12)16(17,18)19/h3-7,9-10,14,20H,2,8,11H2,1H3
InChIKeyGIQNJZXJJZMHQQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.58
Rot. Bonds6

About N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 62698331) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID62698331
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C16H18F3NO/c1-2-8-20-14(15-7-4-9-21-15)11-12-5-3-6-13(10-12)16(17,18)19/h3-7,9-10,14,20H,2,8,11H2,1H3
InChIKeyGIQNJZXJJZMHQQ-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79093607
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 62698331) is N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNC(Cc1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is GIQNJZXJJZMHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-2-8-20-14(15-7-4-9-21-15)11-12-5-3-6-13(10-12)16(17,18)19/h3-7,9-10,14,20H,2,8,11H2,1H3.
What are the key properties of N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62698331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).