1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine

C18H18BrNS — CID 115354103

IUPAC1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H18BrNS/c1-2-20-18(9-13-7-8-21-12-13)16-4-3-15-11-17(19)6-5-14(15)10-16/h3-8,10-12,18,20H,2,9H2,1H3
InChIKeyCIHYECSSSPUDQW-UHFFFAOYSA-N
MW360.32 g/mol
LogP5.56
Rot. Bonds5

About 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine

1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 115354103) has the molecular formula C18H18BrNS and a molecular weight of 360.32 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID115354103
Molecular FormulaC18H18BrNS
Molecular Weight360.32 g/mol
Exact Mass359.03
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H18BrNS/c1-2-20-18(9-13-7-8-21-12-13)16-4-3-15-11-17(19)6-5-14(15)10-16/h3-8,10-12,18,20H,2,9H2,1H3
InChIKeyCIHYECSSSPUDQW-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-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
CID 115832663
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine (CID 115354103) is 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is CIHYECSSSPUDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNS/c1-2-20-18(9-13-7-8-21-12-13)16-4-3-15-11-17(19)6-5-14(15)10-16/h3-8,10-12,18,20H,2,9H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-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 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 115354103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).