(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

C12H13BrClNOS — CID 171225500

IUPAC(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)c2cccs2)cc1Br.Cl
InChIInChI=1S/C12H12BrNOS.ClH/c1-15-10-5-4-8(7-9(10)13)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1
InChIKeyTYQAAKHWBVSGJY-UTONKHPSSA-N
MW334.67 g/mol
LogP3.99
Rot. Bonds3

About (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride

(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171225500) has the molecular formula C12H13BrClNOS and a molecular weight of 334.67 g/mol. Its IUPAC name is (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171225500
Molecular FormulaC12H13BrClNOS
Molecular Weight334.67 g/mol
Exact Mass332.96
IUPAC Name(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)c2cccs2)cc1Br.Cl
InChIInChI=1S/C12H12BrNOS.ClH/c1-15-10-5-4-8(7-9(10)13)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1
InChIKeyTYQAAKHWBVSGJY-UTONKHPSSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171214723
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 171221826
4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171203101
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81399004
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237691
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol;hydrochloride
CID 171257579
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol
CID 171257578
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43734036

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171225500) is (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is COc1ccc([C@@H](N)c2cccs2)cc1Br.Cl.
What is the InChIKey of (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is TYQAAKHWBVSGJY-UTONKHPSSA-N. The full InChI is InChI=1S/C12H12BrNOS.ClH/c1-15-10-5-4-8(7-9(10)13)12(14)11-3-2-6-16-11;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 334.67 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171225500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).