4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol

C13H15NOS — CID 131297133

IUPAC4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](N)c2cccs2)cc(C)c1O
InChIInChI=1S/C13H15NOS/c1-8-6-10(7-9(2)13(8)15)12(14)11-4-3-5-16-11/h3-7,12,15H,14H2,1-2H3/t12-/m1/s1
InChIKeyGSTNBKXYETURER-GFCCVEGCSA-N
MW233.34 g/mol
LogP3.12
Rot. Bonds2

About 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol

4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol (PubChem CID 131297133) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
PubChem CID131297133
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](N)c2cccs2)cc(C)c1O
InChIInChI=1S/C13H15NOS/c1-8-6-10(7-9(2)13(8)15)12(14)11-4-3-5-16-11/h3-7,12,15H,14H2,1-2H3/t12-/m1/s1
InChIKeyGSTNBKXYETURER-GFCCVEGCSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
3-[(S)-amino(thiophen-2-yl)methyl]-4-hydroxy-5-methylbenzoic acid;hydrochloride
CID 171258264
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride
CID 171253592
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256307
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
ethyl (E)-4-(4-hydroxy-3,5-dimethylphenyl)-4-thiophen-2-ylbut-2-enoate
CID 132961938

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol (CID 131297133) is 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol is Cc1cc([C@@H](N)c2cccs2)cc(C)c1O.
What is the InChIKey of 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol?
The InChIKey is GSTNBKXYETURER-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-6-10(7-9(2)13(8)15)12(14)11-4-3-5-16-11/h3-7,12,15H,14H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol?
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol has a molecular weight of 233.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 131297133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).