2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine

C17H22FNS — CID 62514400

IUPAC2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccsc1)Cc1ccccc1F
InChIInChI=1S/C17H22FNS/c1-13(2)19-11-15(9-14-7-8-20-12-14)10-16-5-3-4-6-17(16)18/h3-8,12-13,15,19H,9-11H2,1-2H3
InChIKeyMCRZFZRJEUXZKU-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.29
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine

2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine (PubChem CID 62514400) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine
PubChem CID62514400
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC Name2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccsc1)Cc1ccccc1F
InChIInChI=1S/C17H22FNS/c1-13(2)19-11-15(9-14-7-8-20-12-14)10-16-5-3-4-6-17(16)18/h3-8,12-13,15,19H,9-11H2,1-2H3
InChIKeyMCRZFZRJEUXZKU-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
CID 66049250
2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 113456667
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
3-(2-fluoropropyl)thiophene
CID 74766003
3-(2-ethylbutyl)thiophene
CID 89133993
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine (CID 62514400) is 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine is CC(C)NCC(Cc1ccsc1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is MCRZFZRJEUXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-13(2)19-11-15(9-14-7-8-20-12-14)10-16-5-3-4-6-17(16)18/h3-8,12-13,15,19H,9-11H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine?
2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62514400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).