1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine

C15H18BrNS — CID 62314813

IUPAC1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc(CCNC(C)c2sccc2Br)c1
InChIInChI=1S/C15H18BrNS/c1-11-4-3-5-13(10-11)6-8-17-12(2)15-14(16)7-9-18-15/h3-5,7,9-10,12,17H,6,8H2,1-2H3
InChIKeyCHIQXRIEUKZELS-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.71
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine

1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine (PubChem CID 62314813) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
PubChem CID62314813
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc(CCNC(C)c2sccc2Br)c1
InChIInChI=1S/C15H18BrNS/c1-11-4-3-5-13(10-11)6-8-17-12(2)15-14(16)7-9-18-15/h3-5,7,9-10,12,17H,6,8H2,1-2H3
InChIKeyCHIQXRIEUKZELS-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115715269
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62314433
1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106168908
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine (CID 62314813) is 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine is Cc1cccc(CCNC(C)c2sccc2Br)c1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The InChIKey is CHIQXRIEUKZELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-11-4-3-5-13(10-11)6-8-17-12(2)15-14(16)7-9-18-15/h3-5,7,9-10,12,17H,6,8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 62314813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).