N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine

C16H20FNS — CID 61078926

IUPACN-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H20FNS/c1-3-7-18-16(9-13-6-8-19-11-13)14-5-4-12(2)15(17)10-14/h4-6,8,10-11,16,18H,3,7,9H2,1-2H3
InChIKeyILSSKQYVZRBHRF-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.48
Rot. Bonds6

About N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 61078926) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID61078926
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H20FNS/c1-3-7-18-16(9-13-6-8-19-11-13)14-5-4-12(2)15(17)10-14/h4-6,8,10-11,16,18H,3,7,9H2,1-2H3
InChIKeyILSSKQYVZRBHRF-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 61078926) is N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1ccc(C)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is ILSSKQYVZRBHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-3-7-18-16(9-13-6-8-19-11-13)14-5-4-12(2)15(17)10-14/h4-6,8,10-11,16,18H,3,7,9H2,1-2H3.
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 61078926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).