2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride

C11H11Cl2NOS — CID 171217144

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H10ClNOS.ClH/c12-7-3-4-9(14)8(6-7)11(13)10-2-1-5-15-10;/h1-6,11,14H,13H2;1H/t11-;/m1./s1
InChIKeyYYBCKHUFTDVEBS-RFVHGSKJSA-N
MW276.19 g/mol
LogP3.58
Rot. Bonds2

About 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride

2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride (PubChem CID 171217144) has the molecular formula C11H11Cl2NOS and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride
PubChem CID171217144
Molecular FormulaC11H11Cl2NOS
Molecular Weight276.19 g/mol
Exact Mass274.99
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1cc(Cl)ccc1O
InChIInChI=1S/C11H10ClNOS.ClH/c12-7-3-4-9(14)8(6-7)11(13)10-2-1-5-15-10;/h1-6,11,14H,13H2;1H/t11-;/m1./s1
InChIKeyYYBCKHUFTDVEBS-RFVHGSKJSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-amino(thiophen-2-yl)methyl]-4-chloroaniline
CID 171214226
2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
CID 131418873
2-[(S)-amino(thiophen-2-yl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210148
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205796
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257098
2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253754
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
2-[amino(pyridin-2-yl)methyl]-4-chlorophenol
CID 22299694

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride (CID 171217144) is 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride is Cl.N[C@@H](c1cccs1)c1cc(Cl)ccc1O.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride?
The InChIKey is YYBCKHUFTDVEBS-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H10ClNOS.ClH/c12-7-3-4-9(14)8(6-7)11(13)10-2-1-5-15-10;/h1-6,11,14H,13H2;1H/t11-;/m1./s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride?
2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride has a molecular weight of 276.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride is sourced from PubChem (CID 171217144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).