1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine

C16H19BrFNS — CID 63412878

IUPAC1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrFNS/c1-2-9-19-14(11-15-7-8-16(17)20-15)10-12-3-5-13(18)6-4-12/h3-8,14,19H,2,9-11H2,1H3
InChIKeyVXVCSEZCFJTYLH-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.80
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine

1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 63412878) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
PubChem CID63412878
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC Name1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrFNS/c1-2-9-19-14(11-15-7-8-16(17)20-15)10-12-3-5-13(18)6-4-12/h3-8,14,19H,2,9-11H2,1H3
InChIKeyVXVCSEZCFJTYLH-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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Related Compounds

1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine (CID 63412878) is 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(F)cc1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is VXVCSEZCFJTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-2-9-19-14(11-15-7-8-16(17)20-15)10-12-3-5-13(18)6-4-12/h3-8,14,19H,2,9-11H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-(4-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-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 63412878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).