(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride

C13H16ClNS — CID 171232778

IUPAC(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCc1ccc([C@@H](N)c2ccsc2)c(C)c1.Cl
InChIInChI=1S/C13H15NS.ClH/c1-9-3-4-12(10(2)7-9)13(14)11-5-6-15-8-11;/h3-8,13H,14H2,1-2H3;1H/t13-;/m0./s1
InChIKeyRCDFSQJMHVELAS-ZOWNYOTGSA-N
MW253.80 g/mol
LogP3.83
Rot. Bonds2

About (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride

(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171232778) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171232778
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCc1ccc([C@@H](N)c2ccsc2)c(C)c1.Cl
InChIInChI=1S/C13H15NS.ClH/c1-9-3-4-12(10(2)7-9)13(14)11-5-6-15-8-11;/h3-8,13H,14H2,1-2H3;1H/t13-;/m0./s1
InChIKeyRCDFSQJMHVELAS-ZOWNYOTGSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
CID 171221689
2-[(S)-amino(thiophen-3-yl)methyl]-4-methylphenol
CID 171202323
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
2-[(S)-amino(thiophen-3-yl)methyl]-4-chloro-6-methylphenol;hydrochloride
CID 171215002
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171204988
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171231254

Frequently Asked Questions

What is the IUPAC name of (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171232778) is (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride is Cc1ccc([C@@H](N)c2ccsc2)c(C)c1.Cl.
What is the InChIKey of (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is RCDFSQJMHVELAS-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H15NS.ClH/c1-9-3-4-12(10(2)7-9)13(14)11-5-6-15-8-11;/h3-8,13H,14H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 253.80 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171232778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).