N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine

C17H22FNS — CID 79439048

IUPACN-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(CC)s1)c1ccccc1F
InChIInChI=1S/C17H22FNS/c1-3-14-9-10-15(20-14)11-13(12-19-4-2)16-7-5-6-8-17(16)18/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyADSNSGKPADRYOE-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.39
Rot. Bonds7

About N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine

N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine (PubChem CID 79439048) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
PubChem CID79439048
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC NameN-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(CC)s1)c1ccccc1F
InChIInChI=1S/C17H22FNS/c1-3-14-9-10-15(20-14)11-13(12-19-4-2)16-7-5-6-8-17(16)18/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyADSNSGKPADRYOE-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871545
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79434158
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine (CID 79439048) is N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine is CCNCC(Cc1ccc(CC)s1)c1ccccc1F.
What is the InChIKey of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
The InChIKey is ADSNSGKPADRYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-3-14-9-10-15(20-14)11-13(12-19-4-2)16-7-5-6-8-17(16)18/h5-10,13,19H,3-4,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79439048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).