(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

C15H18BrNS — CID 116544376

IUPAC(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(Br)s2)c1
InChIInChI=1S/C15H18BrNS/c1-10(2)8-11-4-3-5-12(9-11)15(17)13-6-7-14(16)18-13/h3-7,9-10,15H,8,17H2,1-2H3
InChIKeyMNPPQKHYPITHJK-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.76
Rot. Bonds4

About (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544376) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544376
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(Br)s2)c1
InChIInChI=1S/C15H18BrNS/c1-10(2)8-11-4-3-5-12(9-11)15(17)13-6-7-14(16)18-13/h3-7,9-10,15H,8,17H2,1-2H3
InChIKeyMNPPQKHYPITHJK-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine
CID 105188049
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116544376) is (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2ccc(Br)s2)c1.
What is the InChIKey of (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is MNPPQKHYPITHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-10(2)8-11-4-3-5-12(9-11)15(17)13-6-7-14(16)18-13/h3-7,9-10,15H,8,17H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 324.29 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).