N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C16H20FNS — CID 43777650

IUPACN-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H20FNS/c1-12(2)16(15-7-4-10-19-15)18-9-8-13-5-3-6-14(17)11-13/h3-7,10-12,16,18H,8-9H2,1-2H3
InChIKeyQIQJENKUFHMWDG-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.42
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43777650) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43777650
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H20FNS/c1-12(2)16(15-7-4-10-19-15)18-9-8-13-5-3-6-14(17)11-13/h3-7,10-12,16,18H,8-9H2,1-2H3
InChIKeyQIQJENKUFHMWDG-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 43773033
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77030267
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565881
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565905

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 43777650) is N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCCc1cccc(F)c1)c1cccs1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is QIQJENKUFHMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-12(2)16(15-7-4-10-19-15)18-9-8-13-5-3-6-14(17)11-13/h3-7,10-12,16,18H,8-9H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43777650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).