(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine

C12H12BrNS — CID 171203908

IUPAC(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc([C@H](N)c2cccs2)cc1Br
InChIInChI=1S/C12H12BrNS/c1-8-4-5-9(7-10(8)13)12(14)11-3-2-6-15-11/h2-7,12H,14H2,1H3/t12-/m0/s1
InChIKeyWAHPHJIHIOXMBZ-LBPRGKRZSA-N
MW282.21 g/mol
LogP3.87
Rot. Bonds2

About (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine

(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine (PubChem CID 171203908) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
PubChem CID171203908
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc([C@H](N)c2cccs2)cc1Br
InChIInChI=1S/C12H12BrNS/c1-8-4-5-9(7-10(8)13)12(14)11-3-2-6-15-11/h2-7,12H,14H2,1H3/t12-/m0/s1
InChIKeyWAHPHJIHIOXMBZ-LBPRGKRZSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
CID 131297133
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256307
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 171221826
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine (CID 171203908) is (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine is Cc1ccc([C@H](N)c2cccs2)cc1Br.
What is the InChIKey of (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine?
The InChIKey is WAHPHJIHIOXMBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-8-4-5-9(7-10(8)13)12(14)11-3-2-6-15-11/h2-7,12H,14H2,1H3/t12-/m0/s1.
What are the key properties of (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine?
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine has a molecular weight of 282.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 171203908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).