(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

C13H15BrClNO2S — CID 171214723

IUPAC(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1cc([C@H](N)c2cccs2)c(OC)cc1Br.Cl
InChIInChI=1S/C13H14BrNO2S.ClH/c1-16-10-7-9(14)11(17-2)6-8(10)13(15)12-4-3-5-18-12;/h3-7,13H,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyLIRKLJQEPCMXKM-ZOWNYOTGSA-N
MW364.69 g/mol
LogP4.00
Rot. Bonds4

About (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171214723) has the molecular formula C13H15BrClNO2S and a molecular weight of 364.69 g/mol. Its IUPAC name is (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171214723
Molecular FormulaC13H15BrClNO2S
Molecular Weight364.69 g/mol
Exact Mass362.97
IUPAC Name(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1cc([C@H](N)c2cccs2)c(OC)cc1Br.Cl
InChIInChI=1S/C13H14BrNO2S.ClH/c1-16-10-7-9(14)11(17-2)6-8(10)13(15)12-4-3-5-18-12;/h3-7,13H,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyLIRKLJQEPCMXKM-ZOWNYOTGSA-N
XLogP4.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.69
LogP ≤ 54.00
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
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 171221826
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine
CID 43464721
2-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232515
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
2-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]thiophene
CID 61085407
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol;hydrochloride
CID 171257579
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171203101

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171214723) is (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is COc1cc([C@H](N)c2cccs2)c(OC)cc1Br.Cl.
What is the InChIKey of (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is LIRKLJQEPCMXKM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H14BrNO2S.ClH/c1-16-10-7-9(14)11(17-2)6-8(10)13(15)12-4-3-5-18-12;/h3-7,13H,15H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 364.69 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171214723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).