1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine

C15H18FNS — CID 104979816

IUPAC1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)N[C@H](C)c1cccs1
InChIInChI=1S/C15H18FNS/c1-11(10-13-5-7-14(16)8-6-13)17-12(2)15-4-3-9-18-15/h3-9,11-12,17H,10H2,1-2H3/t11?,12-/m1/s1
InChIKeyZDLPTBLLTLDRCV-PIJUOVFKSA-N
MW263.38 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine

1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine (PubChem CID 104979816) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
PubChem CID104979816
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)N[C@H](C)c1cccs1
InChIInChI=1S/C15H18FNS/c1-11(10-13-5-7-14(16)8-6-13)17-12(2)15-4-3-9-18-15/h3-9,11-12,17H,10H2,1-2H3/t11?,12-/m1/s1
InChIKeyZDLPTBLLTLDRCV-PIJUOVFKSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 114829652

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine (CID 104979816) is 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine is CC(Cc1ccc(F)cc1)N[C@H](C)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine?
The InChIKey is ZDLPTBLLTLDRCV-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H18FNS/c1-11(10-13-5-7-14(16)8-6-13)17-12(2)15-4-3-9-18-15/h3-9,11-12,17H,10H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine is sourced from PubChem (CID 104979816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).