N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine

C15H18FNO — CID 83182969

IUPACN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(C)cc(F)c1
InChIInChI=1S/C15H18FNO/c1-3-17-15(8-12-4-5-18-10-12)13-6-11(2)7-14(16)9-13/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyCSKHRCVGHFLWKO-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine (PubChem CID 83182969) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
PubChem CID83182969
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(C)cc(F)c1
InChIInChI=1S/C15H18FNO/c1-3-17-15(8-12-4-5-18-10-12)13-6-11(2)7-14(16)9-13/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyCSKHRCVGHFLWKO-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83174702
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
CID 105030020
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105030207
1-(2,6-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182160
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83178416
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
N-ethyl-2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanamine
CID 105029983
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine (CID 83182969) is N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)c1cc(C)cc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine?
The InChIKey is CSKHRCVGHFLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-17-15(8-12-4-5-18-10-12)13-6-11(2)7-14(16)9-13/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine?
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine has a molecular weight of 247.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83182969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).