2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine

C14H15Br2NOS — CID 107286383

IUPAC2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(Br)cc1OCCNCc1cc(Br)cs1
InChIInChI=1S/C14H15Br2NOS/c1-10-2-3-11(15)7-14(10)18-5-4-17-8-13-6-12(16)9-19-13/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyFNVWJWAWBQSCAJ-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.75
Rot. Bonds6

About 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine

2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 107286383) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
PubChem CID107286383
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(Br)cc1OCCNCc1cc(Br)cs1
InChIInChI=1S/C14H15Br2NOS/c1-10-2-3-11(15)7-14(10)18-5-4-17-8-13-6-12(16)9-19-13/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyFNVWJWAWBQSCAJ-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-(2,4-dimethylphenoxy)ethanamine
CID 60664796
N-[(4-bromothiophen-2-yl)methyl]-2-(2,4,6-trimethylphenoxy)ethanamine
CID 63516198
2-(4-bromo-3,5-dimethylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107726659
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 107286479
N-[(4-bromothiophen-2-yl)methyl]-2-(2,6-dichlorophenoxy)ethanamine
CID 63517673
N-[(4-bromothiophen-2-yl)methyl]-2-(2-prop-2-enylphenoxy)ethanamine
CID 63517390
N-[(4-bromothiophen-2-yl)methyl]-2-(3,5-difluorophenoxy)ethanamine
CID 55112857
N-[(4-bromothiophen-2-yl)methyl]-2-(4-butan-2-ylphenoxy)ethanamine
CID 107668574
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
N-[(4-bromothiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82958028

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine (CID 107286383) is 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine is Cc1ccc(Br)cc1OCCNCc1cc(Br)cs1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is FNVWJWAWBQSCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-10-2-3-11(15)7-14(10)18-5-4-17-8-13-6-12(16)9-19-13/h2-3,6-7,9,17H,4-5,8H2,1H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 405.16 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107286383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).