N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine

C15H18FNO — CID 105030020

IUPACN-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1ccc(C)cc1F
InChIInChI=1S/C15H18FNO/c1-3-17-15(9-12-6-7-18-10-12)13-5-4-11(2)8-14(13)16/h4-8,10,15,17H,3,9H2,1-2H3
InChIKeyDWBKVLPGKCIHEO-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine

N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine (PubChem CID 105030020) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
PubChem CID105030020
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1ccc(C)cc1F
InChIInChI=1S/C15H18FNO/c1-3-17-15(9-12-6-7-18-10-12)13-5-4-11(2)8-14(13)16/h4-8,10,15,17H,3,9H2,1-2H3
InChIKeyDWBKVLPGKCIHEO-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-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
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-(4-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83174702
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 107968942
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029989
N-ethyl-2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanamine
CID 105029983
N-ethyl-2-(furan-3-yl)-1-naphthalen-1-ylethanamine
CID 83176025
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine (CID 105030020) is N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)c1ccc(C)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine?
The InChIKey is DWBKVLPGKCIHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-17-15(9-12-6-7-18-10-12)13-5-4-11(2)8-14(13)16/h4-8,10,15,17H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine?
N-ethyl-1-(2-fluoro-4-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-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 105030020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).