(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride

C12H13Cl2NS — CID 171231501

IUPAC(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cc([C@@H](N)c2cccs2)ccc1Cl.Cl
InChIInChI=1S/C12H12ClNS.ClH/c1-8-7-9(4-5-10(8)13)12(14)11-3-2-6-15-11;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1
InChIKeyBOXLUBNERJIVSL-UTONKHPSSA-N
MW274.22 g/mol
LogP4.18
Rot. Bonds2

About (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride

(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171231501) has the molecular formula C12H13Cl2NS and a molecular weight of 274.22 g/mol. Its IUPAC name is (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171231501
Molecular FormulaC12H13Cl2NS
Molecular Weight274.22 g/mol
Exact Mass273.01
IUPAC Name(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cc([C@@H](N)c2cccs2)ccc1Cl.Cl
InChIInChI=1S/C12H12ClNS.ClH/c1-8-7-9(4-5-10(8)13)12(14)11-3-2-6-15-11;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1
InChIKeyBOXLUBNERJIVSL-UTONKHPSSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
CID 131297133
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine
CID 171225926
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232400
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171231501) is (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride is Cc1cc([C@@H](N)c2cccs2)ccc1Cl.Cl.
What is the InChIKey of (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is BOXLUBNERJIVSL-UTONKHPSSA-N. The full InChI is InChI=1S/C12H12ClNS.ClH/c1-8-7-9(4-5-10(8)13)12(14)11-3-2-6-15-11;/h2-7,12H,14H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 274.22 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171231501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).