N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H16FNS — CID 43201345

IUPACN-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H16FNS/c1-2-13(14-4-3-9-17-14)16-10-11-5-7-12(15)8-6-11/h3-9,13,16H,2,10H2,1H3
InChIKeyLJGDLWOVBODCAU-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.13
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 43201345) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID43201345
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H16FNS/c1-2-13(14-4-3-9-17-14)16-10-11-5-7-12(15)8-6-11/h3-9,13,16H,2,10H2,1H3
InChIKeyLJGDLWOVBODCAU-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 102609818
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 66413550
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106263333

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 43201345) is N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is LJGDLWOVBODCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-2-13(14-4-3-9-17-14)16-10-11-5-7-12(15)8-6-11/h3-9,13,16H,2,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43201345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).