(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine

C13H14BrNOS — CID 43464834

IUPAC(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccsc1
InChIInChI=1S/C13H14BrNOS/c1-2-16-12-4-3-10(14)7-11(12)13(15)9-5-6-17-8-9/h3-8,13H,2,15H2,1H3
InChIKeyMDRSIMIHSURILX-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.96
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine

(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 43464834) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID43464834
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccsc1
InChIInChI=1S/C13H14BrNOS/c1-2-16-12-4-3-10(14)7-11(12)13(15)9-5-6-17-8-9/h3-8,13H,2,15H2,1H3
InChIKeyMDRSIMIHSURILX-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126555
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43311398
3-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]thiophene
CID 63441143
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
2-[(S)-amino(thiophen-3-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216035
3-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 63435890
(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43311344
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine (CID 43464834) is (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine is CCOc1ccc(Br)cc1C(N)c1ccsc1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is MDRSIMIHSURILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-2-16-12-4-3-10(14)7-11(12)13(15)9-5-6-17-8-9/h3-8,13H,2,15H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine?
(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 43464834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).