1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

C14H15Br2NOS — CID 107968058

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2NOS/c1-8-3-4-12(18-2)9(5-8)6-11(17)10-7-13(15)19-14(10)16/h3-5,7,11H,6,17H2,1-2H3
InChIKeyTXKVWDVWEVEVCO-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.83
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 107968058) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID107968058
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2NOS/c1-8-3-4-12(18-2)9(5-8)6-11(17)10-7-13(15)19-14(10)16/h3-5,7,11H,6,17H2,1-2H3
InChIKeyTXKVWDVWEVEVCO-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
1-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107503260
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
2-(2-methoxy-5-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755036
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 107968058) is 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is TXKVWDVWEVEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-8-3-4-12(18-2)9(5-8)6-11(17)10-7-13(15)19-14(10)16/h3-5,7,11H,6,17H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 405.16 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 107968058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).