N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine

C14H15BrClNS — CID 102763887

IUPACN-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Cl)s1)c1ccccc1Br
InChIInChI=1S/C14H15BrClNS/c1-3-17-13(10-6-4-5-7-11(10)15)12-8-9(2)14(16)18-12/h4-8,13,17H,3H2,1-2H3
InChIKeyCVTDTHLWGSUAFJ-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.17
Rot. Bonds4

About N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine

N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 102763887) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
PubChem CID102763887
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Cl)s1)c1ccccc1Br
InChIInChI=1S/C14H15BrClNS/c1-3-17-13(10-6-4-5-7-11(10)15)12-8-9(2)14(16)18-12/h4-8,13,17H,3H2,1-2H3
InChIKeyCVTDTHLWGSUAFJ-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-3-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 107982142
N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
CID 102827553
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 102763885
N-[(5-bromo-4-methylthiophen-2-yl)-(2-bromophenyl)methyl]propan-1-amine
CID 79992525
N-[(4,5-dibromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 80533829
N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488450
N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 102827690
N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 102763744
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107982085
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 114021205

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine (CID 102763887) is N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(C)c(Cl)s1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is CVTDTHLWGSUAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-3-17-13(10-6-4-5-7-11(10)15)12-8-9(2)14(16)18-12/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine?
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 344.71 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 102763887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).