(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine

C13H14BrNO2S — CID 171198892

IUPAC(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(Br)c([C@H](N)c2ccsc2)cc1OC
InChIInChI=1S/C13H14BrNO2S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3/t13-/m1/s1
InChIKeyBHNDGNLEPQRQCV-CYBMUJFWSA-N
MW328.23 g/mol
LogP3.58
Rot. Bonds4

About (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine

(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 171198892) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID171198892
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(Br)c([C@H](N)c2ccsc2)cc1OC
InChIInChI=1S/C13H14BrNO2S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3/t13-/m1/s1
InChIKeyBHNDGNLEPQRQCV-CYBMUJFWSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
4-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol
CID 171220300
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
CID 171221689
(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171205336
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine
CID 79415248
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine (CID 171198892) is (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine is COc1cc(Br)c([C@H](N)c2ccsc2)cc1OC.
What is the InChIKey of (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is BHNDGNLEPQRQCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 328.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171198892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).