N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

C15H18BrNS — CID 43488450

IUPACN-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)s1)c1ccccc1Br
InChIInChI=1S/C15H18BrNS/c1-3-11-9-10-14(18-11)15(17-4-2)12-7-5-6-8-13(12)16/h5-10,15,17H,3-4H2,1-2H3
InChIKeyHTDYHKFSRNZCBH-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.77
Rot. Bonds5

About N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488450) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID43488450
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)s1)c1ccccc1Br
InChIInChI=1S/C15H18BrNS/c1-3-11-9-10-14(18-11)15(17-4-2)12-7-5-6-8-13(12)16/h5-10,15,17H,3-4H2,1-2H3
InChIKeyHTDYHKFSRNZCBH-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488446
N-[(2,5-dibromo-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81473406
N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
CID 102827553
N-[(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 115368910
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763887
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 107515354
N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 61103990
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (CID 43488450) is N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)s1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is HTDYHKFSRNZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-11-9-10-14(18-11)15(17-4-2)12-7-5-6-8-13(12)16/h5-10,15,17H,3-4H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).