1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine

C15H18FNS — CID 112676995

IUPAC1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1ccsc1)c1ccccc1F
InChIInChI=1S/C15H18FNS/c1-3-15(13-6-4-5-7-14(13)16)17-11(2)12-8-9-18-10-12/h4-11,15,17H,3H2,1-2H3
InChIKeyCZSDGGMGXVPVAK-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.69
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine

1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine (PubChem CID 112676995) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
PubChem CID112676995
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1ccsc1)c1ccccc1F
InChIInChI=1S/C15H18FNS/c1-3-15(13-6-4-5-7-14(13)16)17-11(2)12-8-9-18-10-12/h4-11,15,17H,3H2,1-2H3
InChIKeyCZSDGGMGXVPVAK-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090502
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 112631399
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
1-(2-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167905

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine (CID 112676995) is 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine is CCC(NC(C)c1ccsc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is CZSDGGMGXVPVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-3-15(13-6-4-5-7-14(13)16)17-11(2)12-8-9-18-10-12/h4-11,15,17H,3H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 112676995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).