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

C16H18F3NO — CID 105029239

IUPACN-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO/c1-2-9-20-15(11-14-4-3-10-21-14)12-5-7-13(8-6-12)16(17,18)19/h3-8,10,15,20H,2,9,11H2,1H3
InChIKeyLZCNXHVSFXSRCR-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.58
Rot. Bonds6

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

N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 105029239) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID105029239
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO/c1-2-9-20-15(11-14-4-3-10-21-14)12-5-7-13(8-6-12)16(17,18)19/h3-8,10,15,20H,2,9,11H2,1H3
InChIKeyLZCNXHVSFXSRCR-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

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CID 83175594
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CID 83176193
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
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N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
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N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 105029239) is N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is LZCNXHVSFXSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-2-9-20-15(11-14-4-3-10-21-14)12-5-7-13(8-6-12)16(17,18)19/h3-8,10,15,20H,2,9,11H2,1H3.
What are the key properties of N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[2-(furan-2-yl)-1-[4-(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-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105029239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).