1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine

C17H22BrNS — CID 105139650

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
SMILESCCNC(CCCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-2-19-15(13-17-16(18)11-12-20-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,15,19H,2,6,9-10,13H2,1H3
InChIKeyHPCBPMJGJSSCTQ-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.05
Rot. Bonds8

About 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine

1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine (PubChem CID 105139650) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
PubChem CID105139650
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
SMILESCCNC(CCCc1ccccc1)Cc1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-2-19-15(13-17-16(18)11-12-20-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,15,19H,2,6,9-10,13H2,1H3
InChIKeyHPCBPMJGJSSCTQ-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105139608
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
CID 105139457
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105139574
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602453
1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
CID 62606159
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine (CID 105139650) is 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine is CCNC(CCCc1ccccc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine?
The InChIKey is HPCBPMJGJSSCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-2-19-15(13-17-16(18)11-12-20-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,15,19H,2,6,9-10,13H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine has a molecular weight of 352.34 g/mol, XLogP of 5.05, 8 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)-N-ethyl-5-phenylpentan-2-amine is sourced from PubChem (CID 105139650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).