(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine

C14H15Br2NOS — CID 80536380

IUPAC(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H15Br2NOS/c1-3-18-11-5-4-8(2)6-9(11)13(17)12-7-10(15)14(16)19-12/h4-7,13H,3,17H2,1-2H3
InChIKeyFEONCMLRYKGRGU-UHFFFAOYSA-N
MW405.16 g/mol
LogP5.03
Rot. Bonds4

About (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine

(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine (PubChem CID 80536380) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine
PubChem CID80536380
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H15Br2NOS/c1-3-18-11-5-4-8(2)6-9(11)13(17)12-7-10(15)14(16)19-12/h4-7,13H,3,17H2,1-2H3
InChIKeyFEONCMLRYKGRGU-UHFFFAOYSA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.16
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 107979822
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43311344
(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 62302991
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 80536132
2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 107958857
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine (CID 80536380) is (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine is CCOc1ccc(C)cc1C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine?
The InChIKey is FEONCMLRYKGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-3-18-11-5-4-8(2)6-9(11)13(17)12-7-10(15)14(16)19-12/h4-7,13H,3,17H2,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine has a molecular weight of 405.16 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 80536380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).