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

C16H20FNOS — CID 105174794

IUPACN-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cccc(OC)c1F
InChIInChI=1S/C16H20FNOS/c1-3-8-18-14(10-12-7-9-20-11-12)13-5-4-6-15(19-2)16(13)17/h4-7,9,11,14,18H,3,8,10H2,1-2H3
InChIKeyPXBNXDLNKUAIMV-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.18
Rot. Bonds7

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

N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 105174794) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID105174794
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cccc(OC)c1F
InChIInChI=1S/C16H20FNOS/c1-3-8-18-14(10-12-7-9-20-11-12)13-5-4-6-15(19-2)16(13)17/h4-7,9,11,14,18H,3,8,10H2,1-2H3
InChIKeyPXBNXDLNKUAIMV-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 82808330
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 106792623
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
CID 65433257
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 116662158
N-[1-(2-fluoro-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216049
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079304
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 105174794) is N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1cccc(OC)c1F.
What is the InChIKey of N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is PXBNXDLNKUAIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-3-8-18-14(10-12-7-9-20-11-12)13-5-4-6-15(19-2)16(13)17/h4-7,9,11,14,18H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105174794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).