N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine

C15H18FNO — CID 105087868

IUPACN-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO/c1-2-17-15(10-9-14-4-3-11-18-14)12-5-7-13(16)8-6-12/h3-8,11,15,17H,2,9-10H2,1H3
InChIKeyJAISGMCISOBOSI-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine

N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 105087868) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
PubChem CID105087868
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO/c1-2-17-15(10-9-14-4-3-11-18-14)12-5-7-13(16)8-6-12/h3-8,11,15,17H,2,9-10H2,1H3
InChIKeyJAISGMCISOBOSI-UHFFFAOYSA-N
XLogP3.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 102653662
N-ethyl-3-(furan-2-yl)-1-quinolin-7-ylpropan-1-amine
CID 105172573
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine (CID 105087868) is N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine is CCNC(CCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is JAISGMCISOBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-17-15(10-9-14-4-3-11-18-14)12-5-7-13(16)8-6-12/h3-8,11,15,17H,2,9-10H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105087868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).