(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride

C12H14ClNS — CID 171229492

IUPAC(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cccc([C@@H](N)c2cccs2)c1.Cl
InChIInChI=1S/C12H13NS.ClH/c1-9-4-2-5-10(8-9)12(13)11-6-3-7-14-11;/h2-8,12H,13H2,1H3;1H/t12-;/m1./s1
InChIKeyRZFYDDCRVUTSOU-UTONKHPSSA-N
MW239.77 g/mol
LogP3.53
Rot. Bonds2

About (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride

(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171229492) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171229492
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cccc([C@@H](N)c2cccs2)c1.Cl
InChIInChI=1S/C12H13NS.ClH/c1-9-4-2-5-10(8-9)12(13)11-6-3-7-14-11;/h2-8,12H,13H2,1H3;1H/t12-;/m1./s1
InChIKeyRZFYDDCRVUTSOU-UTONKHPSSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(3-methylphenyl)-(thiadiazol-5-yl)methanamine
CID 105090729
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
CID 131297133
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(3-nitrophenyl)-thiophen-2-ylmethanamine
CID 22215325

Frequently Asked Questions

What is the IUPAC name of (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171229492) is (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride is Cc1cccc([C@@H](N)c2cccs2)c1.Cl.
What is the InChIKey of (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is RZFYDDCRVUTSOU-UTONKHPSSA-N. The full InChI is InChI=1S/C12H13NS.ClH/c1-9-4-2-5-10(8-9)12(13)11-6-3-7-14-11;/h2-8,12H,13H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171229492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).