(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

C14H16BrNO2S — CID 81126555

IUPAC(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1sccc1OC
InChIInChI=1S/C14H16BrNO2S/c1-3-18-11-5-4-9(15)8-10(11)13(16)14-12(17-2)6-7-19-14/h4-8,13H,3,16H2,1-2H3
InChIKeyREUULRXZPUFNDI-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.97
Rot. Bonds5

About (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 81126555) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID81126555
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1sccc1OC
InChIInChI=1S/C14H16BrNO2S/c1-3-18-11-5-4-9(15)8-10(11)13(16)14-12(17-2)6-7-19-14/h4-8,13H,3,16H2,1-2H3
InChIKeyREUULRXZPUFNDI-UHFFFAOYSA-N
XLogP3.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene
CID 79975271
(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464834
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81473921
N-[(5-bromo-2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79972309
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408
(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43311344
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (CID 81126555) is (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine is CCOc1ccc(Br)cc1C(N)c1sccc1OC.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is REUULRXZPUFNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-3-18-11-5-4-9(15)8-10(11)13(16)14-12(17-2)6-7-19-14/h4-8,13H,3,16H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 342.26 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81126555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).