(5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine

C14H15Br2NS — CID 114249230

IUPAC(5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Br)s2)c(C)c1Br
InChIInChI=1S/C14H15Br2NS/c1-7-6-8(2)13(16)9(3)12(7)14(17)10-4-5-11(15)18-10/h4-6,14H,17H2,1-3H3
InChIKeyXTDXXDIPTOOFGR-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.25
Rot. Bonds2

About (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine

(5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine (PubChem CID 114249230) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine
PubChem CID114249230
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name(5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Br)s2)c(C)c1Br
InChIInChI=1S/C14H15Br2NS/c1-7-6-8(2)13(16)9(3)12(7)14(17)10-4-5-11(15)18-10/h4-6,14H,17H2,1-3H3
InChIKeyXTDXXDIPTOOFGR-UHFFFAOYSA-N
XLogP5.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877134
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 114249239
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine
CID 82630244
2-[(3-bromo-2,4,6-trimethylphenyl)-chloromethyl]-5-ethylthiophene
CID 114249314
(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 43464453
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 62072900
1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine
CID 114249229
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
CID 65152479

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine (CID 114249230) is (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(Br)s2)c(C)c1Br.
What is the InChIKey of (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine?
The InChIKey is XTDXXDIPTOOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-7-6-8(2)13(16)9(3)12(7)14(17)10-4-5-11(15)18-10/h4-6,14H,17H2,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine?
(5-bromothiophen-2-yl)-(3-bromo-2,4,6-trimethylphenyl)methanamine has a molecular weight of 389.16 g/mol, XLogP of 5.25, 2 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-bromo-2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 114249230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).