1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine

C17H22BrNS — CID 105166680

IUPAC1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)c1cscc1Br
InChIInChI=1S/C17H22BrNS/c1-2-11-19-17(15-12-20-13-16(15)18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13,17,19H,2,6,9-11H2,1H3
InChIKeyUYKGESYXPFUPDU-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.57
Rot. Bonds8

About 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine

1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine (PubChem CID 105166680) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
PubChem CID105166680
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)c1cscc1Br
InChIInChI=1S/C17H22BrNS/c1-2-11-19-17(15-12-20-13-16(15)18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13,17,19H,2,6,9-11H2,1H3
InChIKeyUYKGESYXPFUPDU-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79602867
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968
1-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 103405798
1-(2,5-dibromothiophen-3-yl)-N-ethyl-4-phenylbutan-1-amine
CID 107968218
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
CID 105139865
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105139842
1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
CID 79595314
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine (CID 105166680) is 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine is CCCNC(CCCc1ccccc1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine?
The InChIKey is UYKGESYXPFUPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-2-11-19-17(15-12-20-13-16(15)18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13,17,19H,2,6,9-11H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine?
1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine has a molecular weight of 352.34 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 105166680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).