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

C12H12BrNS — CID 171221689

IUPAC(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
SMILESCc1ccc([C@@H](N)c2ccsc2)c(Br)c1
InChIInChI=1S/C12H12BrNS/c1-8-2-3-10(11(13)6-8)12(14)9-4-5-15-7-9/h2-7,12H,14H2,1H3/t12-/m0/s1
InChIKeyZLELHNREVKJZGA-LBPRGKRZSA-N
MW282.21 g/mol
LogP3.87
Rot. Bonds2

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

(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine (PubChem CID 171221689) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
PubChem CID171221689
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
SMILESCc1ccc([C@@H](N)c2ccsc2)c(Br)c1
InChIInChI=1S/C12H12BrNS/c1-8-2-3-10(11(13)6-8)12(14)9-4-5-15-7-9/h2-7,12H,14H2,1H3/t12-/m0/s1
InChIKeyZLELHNREVKJZGA-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)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171232778
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
2-[(S)-amino(thiophen-3-yl)methyl]-4-methylphenol
CID 171202323
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dibromoaniline
CID 171219021
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine
CID 171204987
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171204988
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
CID 106762249
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine (CID 171221689) is (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine is Cc1ccc([C@@H](N)c2ccsc2)c(Br)c1.
What is the InChIKey of (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine?
The InChIKey is ZLELHNREVKJZGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-8-2-3-10(11(13)6-8)12(14)9-4-5-15-7-9/h2-7,12H,14H2,1H3/t12-/m0/s1.
What are the key properties of (S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine?
(S)-(2-bromo-4-methylphenyl)-thiophen-3-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)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171221689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).