2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine

C18H22BrNS — CID 63417620

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
SMILESCCNC(Cc1sccc1Br)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H22BrNS/c1-2-20-17(13-16-15(19)9-12-21-16)18(10-6-11-18)14-7-4-3-5-8-14/h3-5,7-9,12,17,20H,2,6,10-11,13H2,1H3
InChIKeyVUJXOGDNVDQQRP-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.15
Rot. Bonds6

About 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine

2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine (PubChem CID 63417620) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
PubChem CID63417620
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
SMILESCCNC(Cc1sccc1Br)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H22BrNS/c1-2-20-17(13-16-15(19)9-12-21-16)18(10-6-11-18)14-7-4-3-5-8-14/h3-5,7-9,12,17,20H,2,6,10-11,13H2,1H3
InChIKeyVUJXOGDNVDQQRP-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
CID 63417537
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417719
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 63080063
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
CID 63078290
N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
CID 63080062
N-ethyl-2-(2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62879879
N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine
CID 63192049

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine (CID 63417620) is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine is CCNC(Cc1sccc1Br)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine?
The InChIKey is VUJXOGDNVDQQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-2-20-17(13-16-15(19)9-12-21-16)18(10-6-11-18)14-7-4-3-5-8-14/h3-5,7-9,12,17,20H,2,6,10-11,13H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine?
2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine has a molecular weight of 364.35 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine is sourced from PubChem (CID 63417620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).