2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine

C14H22BrClN2S — CID 102839907

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H22BrClN2S/c1-2-10-6-4-3-5-7-18(10)12(9-17)13-8-11(15)14(16)19-13/h8,10,12H,2-7,9,17H2,1H3
InChIKeyDRMRATLSNSZDAL-UHFFFAOYSA-N
MW365.77 g/mol
LogP4.82
Rot. Bonds4

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine (PubChem CID 102839907) has the molecular formula C14H22BrClN2S and a molecular weight of 365.77 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine
PubChem CID102839907
Molecular FormulaC14H22BrClN2S
Molecular Weight365.77 g/mol
Exact Mass364.04
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H22BrClN2S/c1-2-10-6-4-3-5-7-18(10)12(9-17)13-8-11(15)14(16)19-13/h8,10,12H,2-7,9,17H2,1H3
InChIKeyDRMRATLSNSZDAL-UHFFFAOYSA-N
XLogP4.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519
2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 102838895

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine (CID 102839907) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine is CCC1CCCCCN1C(CN)c1cc(Br)c(Cl)s1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine?
The InChIKey is DRMRATLSNSZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN2S/c1-2-10-6-4-3-5-7-18(10)12(9-17)13-8-11(15)14(16)19-13/h8,10,12H,2-7,9,17H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine has a molecular weight of 365.77 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine is sourced from PubChem (CID 102839907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).