6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride

C12H15ClN2OS — CID 171253592

IUPAC6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride
SMILESCc1ccc(N)c(O)c1[C@@H](N)c1cccs1.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-7-4-5-8(13)12(15)10(7)11(14)9-3-2-6-16-9;/h2-6,11,15H,13-14H2,1H3;1H/t11-;/m0./s1
InChIKeyFBCFSRIXOAUPAD-MERQFXBCSA-N
MW270.79 g/mol
LogP2.81
Rot. Bonds2

About 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride

6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride (PubChem CID 171253592) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride.

Molecular Properties

Compound Name6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride
PubChem CID171253592
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride
SMILESCc1ccc(N)c(O)c1[C@@H](N)c1cccs1.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-7-4-5-8(13)12(15)10(7)11(14)9-3-2-6-16-9;/h2-6,11,15H,13-14H2,1H3;1H/t11-;/m0./s1
InChIKeyFBCFSRIXOAUPAD-MERQFXBCSA-N
XLogP2.81
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256307
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
CID 131297133
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol;hydrochloride
CID 171257579
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
6-amino-2-[(1S)-1-amino-2,2-difluoroethyl]-3-methylphenol
CID 131219013
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
CID 171253567
6-amino-2-[(1R)-1,2-diaminoethyl]-3-methylphenol
CID 131008414
(2S)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetonitrile
CID 131008413
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol
CID 171257578
(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
CID 171229302
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
3-[(S)-amino(thiophen-2-yl)methyl]-4-hydroxy-5-methylbenzoic acid;hydrochloride
CID 171258264

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride?
The IUPAC name of 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride (CID 171253592) is 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride.
What is the SMILES notation for 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride?
The canonical SMILES for 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride is Cc1ccc(N)c(O)c1[C@@H](N)c1cccs1.Cl.
What is the InChIKey of 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride?
The InChIKey is FBCFSRIXOAUPAD-MERQFXBCSA-N. The full InChI is InChI=1S/C12H14N2OS.ClH/c1-7-4-5-8(13)12(15)10(7)11(14)9-3-2-6-16-9;/h2-6,11,15H,13-14H2,1H3;1H/t11-;/m0./s1.
What are the key properties of 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride?
6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride has a molecular weight of 270.79 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride is sourced from PubChem (CID 171253592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).