3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride

C11H12ClNOS — CID 171218066

IUPAC3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cccc(O)c1
InChIInChI=1S/C11H11NOS.ClH/c12-11(9-4-5-14-7-9)8-2-1-3-10(13)6-8;/h1-7,11,13H,12H2;1H/t11-;/m1./s1
InChIKeyNZAMATGKTVFIGE-RFVHGSKJSA-N
MW241.74 g/mol
LogP2.92
Rot. Bonds2

About 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride

3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride (PubChem CID 171218066) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
PubChem CID171218066
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cccc(O)c1
InChIInChI=1S/C11H11NOS.ClH/c12-11(9-4-5-14-7-9)8-2-1-3-10(13)6-8;/h1-7,11,13H,12H2;1H/t11-;/m1./s1
InChIKeyNZAMATGKTVFIGE-RFVHGSKJSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
CID 171235478
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
2-[(S)-amino(thiophen-3-yl)methyl]benzene-1,3,5-triol;hydrochloride
CID 171217050
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride?
The IUPAC name of 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride (CID 171218066) is 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride is Cl.N[C@@H](c1ccsc1)c1cccc(O)c1.
What is the InChIKey of 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride?
The InChIKey is NZAMATGKTVFIGE-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H11NOS.ClH/c12-11(9-4-5-14-7-9)8-2-1-3-10(13)6-8;/h1-7,11,13H,12H2;1H/t11-;/m1./s1.
What are the key properties of 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride?
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride has a molecular weight of 241.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 171218066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).