2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine

C18H18BrNS — CID 63416626

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
SMILESCCNC(Cc1sccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H18BrNS/c1-2-20-17(12-18-16(19)9-10-21-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,17,20H,2,12H2,1H3
InChIKeyQZYDYXVYACVYJT-UHFFFAOYSA-N
MW360.32 g/mol
LogP5.56
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine

2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine (PubChem CID 63416626) has the molecular formula C18H18BrNS and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
PubChem CID63416626
Molecular FormulaC18H18BrNS
Molecular Weight360.32 g/mol
Exact Mass359.03
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
SMILESCCNC(Cc1sccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H18BrNS/c1-2-20-17(12-18-16(19)9-10-21-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,17,20H,2,12H2,1H3
InChIKeyQZYDYXVYACVYJT-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.32
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115849229
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine
CID 115849054
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine (CID 63416626) is 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine is CCNC(Cc1sccc1Br)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine?
The InChIKey is QZYDYXVYACVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNS/c1-2-20-17(12-18-16(19)9-10-21-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,17,20H,2,12H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine?
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine has a molecular weight of 360.32 g/mol, XLogP of 5.56, 5 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-naphthalen-2-ylethanamine is sourced from PubChem (CID 63416626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).