N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine

C17H22FNS — CID 67817049

IUPACN-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(C(C)C)C(c1cccs1)c1ccccc1F
InChIInChI=1S/C17H22FNS/c1-4-11-19(13(2)3)17(16-10-7-12-20-16)14-8-5-6-9-15(14)18/h5-10,12-13,17H,4,11H2,1-3H3
InChIKeyKWJJSKNTFOLKOY-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.10
Rot. Bonds6

About N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine

N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine (PubChem CID 67817049) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine
PubChem CID67817049
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC NameN-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(C(C)C)C(c1cccs1)c1ccccc1F
InChIInChI=1S/C17H22FNS/c1-4-11-19(13(2)3)17(16-10-7-12-20-16)14-8-5-6-9-15(14)18/h5-10,12-13,17H,4,11H2,1-3H3
InChIKeyKWJJSKNTFOLKOY-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine (CID 67817049) is N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine is CCCN(C(C)C)C(c1cccs1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is KWJJSKNTFOLKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-4-11-19(13(2)3)17(16-10-7-12-20-16)14-8-5-6-9-15(14)18/h5-10,12-13,17H,4,11H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine?
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 67817049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).