(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine

C13H13BrClNS — CID 102828065

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1C(N)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H13BrClNS/c1-2-8-5-3-4-6-9(8)12(16)11-7-10(14)13(15)17-11/h3-7,12H,2,16H2,1H3
InChIKeyAKMBQPBITRRJFT-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.77
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine

(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine (PubChem CID 102828065) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine
PubChem CID102828065
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1C(N)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H13BrClNS/c1-2-8-5-3-4-6-9(8)12(16)11-7-10(14)13(15)17-11/h3-7,12H,2,16H2,1H3
InChIKeyAKMBQPBITRRJFT-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 102827978
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 102828054
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 102763744
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102828128
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626
(3,5-difluorophenyl)-(2-ethylphenyl)methanamine
CID 115851700

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine (CID 102828065) is (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine is CCc1ccccc1C(N)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine?
The InChIKey is AKMBQPBITRRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-2-8-5-3-4-6-9(8)12(16)11-7-10(14)13(15)17-11/h3-7,12H,2,16H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine?
(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine has a molecular weight of 330.68 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine is sourced from PubChem (CID 102828065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).