1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine

C16H19BrFNS — CID 63416912

IUPAC1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)Cc1sccc1Br
InChIInChI=1S/C16H19BrFNS/c1-2-7-19-14(11-16-15(17)6-8-20-16)10-12-4-3-5-13(18)9-12/h3-6,8-9,14,19H,2,7,10-11H2,1H3
InChIKeyYLADMNFAQNHRDW-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.80
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 63416912) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
PubChem CID63416912
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC Name1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)Cc1sccc1Br
InChIInChI=1S/C16H19BrFNS/c1-2-7-19-14(11-16-15(17)6-8-20-16)10-12-4-3-5-13(18)9-12/h3-6,8-9,14,19H,2,7,10-11H2,1H3
InChIKeyYLADMNFAQNHRDW-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine (CID 63416912) is 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1cccc(F)c1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is YLADMNFAQNHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-2-7-19-14(11-16-15(17)6-8-20-16)10-12-4-3-5-13(18)9-12/h3-6,8-9,14,19H,2,7,10-11H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 63416912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).