1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine

C13H14BrNS — CID 105091201

IUPAC1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2csc(Br)c2)c1
InChIInChI=1S/C13H14BrNS/c1-9-3-2-4-10(5-9)6-12(15)11-7-13(14)16-8-11/h2-5,7-8,12H,6,15H2,1H3
InChIKeyGVXDKOZKSYNJMY-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.06
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine

1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 105091201) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
PubChem CID105091201
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2csc(Br)c2)c1
InChIInChI=1S/C13H14BrNS/c1-9-3-2-4-10(5-9)6-12(15)11-7-13(14)16-8-11/h2-5,7-8,12H,6,15H2,1H3
InChIKeyGVXDKOZKSYNJMY-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
CID 105151941
1-(7-bromo-1-benzothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 81142132
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 103402392
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine (CID 105091201) is 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2csc(Br)c2)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is GVXDKOZKSYNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-3-2-4-10(5-9)6-12(15)11-7-13(14)16-8-11/h2-5,7-8,12H,6,15H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine?
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 105091201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).