1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine

C13H14BrNS — CID 79595390

IUPAC1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)c2cscc2Br)c1
InChIInChI=1S/C13H14BrNS/c1-9-4-3-5-10(6-9)13(2,15)11-7-16-8-12(11)14/h3-8H,15H2,1-2H3
InChIKeyVEJRVAPCKDMXTL-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine

1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine (PubChem CID 79595390) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine
PubChem CID79595390
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)c2cscc2Br)c1
InChIInChI=1S/C13H14BrNS/c1-9-4-3-5-10(6-9)13(2,15)11-7-16-8-12(11)14/h3-8H,15H2,1-2H3
InChIKeyVEJRVAPCKDMXTL-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
CID 79595826
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
CID 62788866
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997
1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine
CID 79595717
1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 54933232
1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991084
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62787298
1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol
CID 114684126
1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 55116130
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine (CID 79595390) is 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(C)(N)c2cscc2Br)c1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine?
The InChIKey is VEJRVAPCKDMXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-4-3-5-10(6-9)13(2,15)11-7-16-8-12(11)14/h3-8H,15H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine?
1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79595390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).