(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine

C14H15Br2NS — CID 80533023

IUPAC(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(Br)c(Br)s2)c(C)c1
InChIInChI=1S/C14H15Br2NS/c1-7-4-8(2)12(9(3)5-7)13(17)11-6-10(15)14(16)18-11/h4-6,13H,17H2,1-3H3
InChIKeyUXGQRKGPFUYWMR-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.25
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine

(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine (PubChem CID 80533023) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
PubChem CID80533023
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(Br)c(Br)s2)c(C)c1
InChIInChI=1S/C14H15Br2NS/c1-7-4-8(2)12(9(3)5-7)13(17)11-6-10(15)14(16)18-11/h4-6,13H,17H2,1-3H3
InChIKeyUXGQRKGPFUYWMR-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

(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 102843130
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879530

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine (CID 80533023) is (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc(Br)c(Br)s2)c(C)c1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is UXGQRKGPFUYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-7-4-8(2)12(9(3)5-7)13(17)11-6-10(15)14(16)18-11/h4-6,13H,17H2,1-3H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(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 (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 80533023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).