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

C13H14BrNO2S — CID 171221826

IUPAC(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
SMILESCOc1cc([C@@H](N)c2cccs2)cc(OC)c1Br
InChIInChI=1S/C13H14BrNO2S/c1-16-9-6-8(7-10(17-2)12(9)14)13(15)11-4-3-5-18-11/h3-7,13H,15H2,1-2H3/t13-/m1/s1
InChIKeyWMVWKWMXNRTYMA-CYBMUJFWSA-N
MW328.23 g/mol
LogP3.58
Rot. Bonds4

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

(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine (PubChem CID 171221826) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
PubChem CID171221826
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
SMILESCOc1cc([C@@H](N)c2cccs2)cc(OC)c1Br
InChIInChI=1S/C13H14BrNO2S/c1-16-9-6-8(7-10(17-2)12(9)14)13(15)11-4-3-5-18-11/h3-7,13H,15H2,1-2H3/t13-/m1/s1
InChIKeyWMVWKWMXNRTYMA-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

(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171203101
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171214723
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
2-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232515
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol
CID 171257578
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
2-[bromo-(3,4,5-trimethoxyphenyl)methyl]thiophene
CID 61096299
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol;hydrochloride
CID 171257579

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine (CID 171221826) is (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine is COc1cc([C@@H](N)c2cccs2)cc(OC)c1Br.
What is the InChIKey of (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine?
The InChIKey is WMVWKWMXNRTYMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-16-9-6-8(7-10(17-2)12(9)14)13(15)11-4-3-5-18-11/h3-7,13H,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine?
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-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)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 171221826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).