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

C17H22FNS — CID 115720190

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(Cc1cccc(F)c1)NCC(C)(C)c1cccs1
InChIInChI=1S/C17H22FNS/c1-13(10-14-6-4-7-15(18)11-14)19-12-17(2,3)16-8-5-9-20-16/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeyGARNCPLHCTVJTM-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.39
Rot. Bonds6

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

N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 115720190) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID115720190
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(Cc1cccc(F)c1)NCC(C)(C)c1cccs1
InChIInChI=1S/C17H22FNS/c1-13(10-14-6-4-7-15(18)11-14)19-12-17(2,3)16-8-5-9-20-16/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeyGARNCPLHCTVJTM-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
CID 103788194
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 80526019
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719668
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 82991870
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 115720190) is N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CC(Cc1cccc(F)c1)NCC(C)(C)c1cccs1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is GARNCPLHCTVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-13(10-14-6-4-7-15(18)11-14)19-12-17(2,3)16-8-5-9-20-16/h4-9,11,13,19H,10,12H2,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115720190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).