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

C16H18F3NO — CID 83178380

IUPACN-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(Cc1ccoc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO/c1-2-20-15(10-13-6-7-21-11-13)9-12-4-3-5-14(8-12)16(17,18)19/h3-8,11,15,20H,2,9-10H2,1H3
InChIKeyKMVCLYMQRYWLLE-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.06
Rot. Bonds6

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

N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 83178380) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID83178380
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(Cc1ccoc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO/c1-2-20-15(10-13-6-7-21-11-13)9-12-4-3-5-14(8-12)16(17,18)19/h3-8,11,15,20H,2,9-10H2,1H3
InChIKeyKMVCLYMQRYWLLE-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 83178380) is N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is CCNC(Cc1ccoc1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is KMVCLYMQRYWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-2-20-15(10-13-6-7-21-11-13)9-12-4-3-5-14(8-12)16(17,18)19/h3-8,11,15,20H,2,9-10H2,1H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 83178380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).