4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine

C16H20BrNS — CID 64500989

IUPAC4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1sccc1Br)c1ccccc1
InChIInChI=1S/C16H20BrNS/c1-2-18-15(13-7-4-3-5-8-13)9-6-10-16-14(17)11-12-19-16/h3-5,7-8,11-12,15,18H,2,6,9-10H2,1H3
InChIKeyJUWUAWBBZOGOIJ-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.18
Rot. Bonds7

About 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine

4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine (PubChem CID 64500989) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
PubChem CID64500989
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1sccc1Br)c1ccccc1
InChIInChI=1S/C16H20BrNS/c1-2-18-15(13-7-4-3-5-8-13)9-6-10-16-14(17)11-12-19-16/h3-5,7-8,11-12,15,18H,2,6,9-10H2,1H3
InChIKeyJUWUAWBBZOGOIJ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
CID 105139650
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827
3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
CID 63471406
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine
CID 81010701
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine (CID 64500989) is 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine is CCNC(CCCc1sccc1Br)c1ccccc1.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine?
The InChIKey is JUWUAWBBZOGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-2-18-15(13-7-4-3-5-8-13)9-6-10-16-14(17)11-12-19-16/h3-5,7-8,11-12,15,18H,2,6,9-10H2,1H3.
What are the key properties of 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine?
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine has a molecular weight of 338.31 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64500989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).