1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine

C14H15Br2NOS — CID 107283434

IUPAC1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
SMILESCc1ccc(Br)cc1OC(c1cc(Br)cs1)C(C)N
InChIInChI=1S/C14H15Br2NOS/c1-8-3-4-10(15)5-12(8)18-14(9(2)17)13-6-11(16)7-19-13/h3-7,9,14H,17H2,1-2H3
InChIKeyZULDEPCXJSDBGS-UHFFFAOYSA-N
MW405.16 g/mol
LogP5.05
Rot. Bonds4

About 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine

1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine (PubChem CID 107283434) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
PubChem CID107283434
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
SMILESCc1ccc(Br)cc1OC(c1cc(Br)cs1)C(C)N
InChIInChI=1S/C14H15Br2NOS/c1-8-3-4-10(15)5-12(8)18-14(9(2)17)13-6-11(16)7-19-13/h3-7,9,14H,17H2,1-2H3
InChIKeyZULDEPCXJSDBGS-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980448
1-(4-bromo-3,5-dimethylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107722699
1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
CID 107283449
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
2-(5-bromo-2-methylphenoxy)propanethioamide
CID 107283881
1-(5-fluoro-2-methylphenoxy)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 102980600
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine
CID 107313258
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107283479
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine (CID 107283434) is 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine is Cc1ccc(Br)cc1OC(c1cc(Br)cs1)C(C)N.
What is the InChIKey of 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine?
The InChIKey is ZULDEPCXJSDBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-8-3-4-10(15)5-12(8)18-14(9(2)17)13-6-11(16)7-19-13/h3-7,9,14H,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine?
1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine has a molecular weight of 405.16 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 107283434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).