1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

C15H18FNS — CID 112631442

IUPAC1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)s1)c1ccccc1F
InChIInChI=1S/C15H18FNS/c1-3-15(13-6-4-5-7-14(13)16)17-10-12-9-8-11(2)18-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyZCHXDRZELVRIAH-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 112631442) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID112631442
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)s1)c1ccccc1F
InChIInChI=1S/C15H18FNS/c1-3-15(13-6-4-5-7-14(13)16)17-10-12-9-8-11(2)18-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyZCHXDRZELVRIAH-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 114180016
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112633068
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
CID 112676980
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994361
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
1-ethyl-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111999457

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 112631442) is 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is CCC(NCc1ccc(C)s1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is ZCHXDRZELVRIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-3-15(13-6-4-5-7-14(13)16)17-10-12-9-8-11(2)18-12/h4-9,15,17H,3,10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.44, 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-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 112631442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).