2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol

C12H13NO2S — CID 66351207

IUPAC2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
SMILESCOc1cccc(CNc2ccsc2)c1O
InChIInChI=1S/C12H13NO2S/c1-15-11-4-2-3-9(12(11)14)7-13-10-5-6-16-8-10/h2-6,8,13-14H,7H2,1H3
InChIKeyGPWLTHNRXSPSCK-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.07
Rot. Bonds4

About 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol

2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol (PubChem CID 66351207) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
PubChem CID66351207
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
SMILESCOc1cccc(CNc2ccsc2)c1O
InChIInChI=1S/C12H13NO2S/c1-15-11-4-2-3-9(12(11)14)7-13-10-5-6-16-8-10/h2-6,8,13-14H,7H2,1H3
InChIKeyGPWLTHNRXSPSCK-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-6-methoxyphenol
CID 111449494
2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 83310077
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
2-[[4-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 43673138
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991
2-methoxy-6-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6950881
N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66352968
2-methoxy-6-[(3-nitroanilino)methyl]phenol
CID 5140432
N-(naphthalen-1-ylmethyl)thiophen-3-amine
CID 66351259

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol (CID 66351207) is 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol is COc1cccc(CNc2ccsc2)c1O.
What is the InChIKey of 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol?
The InChIKey is GPWLTHNRXSPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-15-11-4-2-3-9(12(11)14)7-13-10-5-6-16-8-10/h2-6,8,13-14H,7H2,1H3.
What are the key properties of 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol?
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol has a molecular weight of 235.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol is sourced from PubChem (CID 66351207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).