4-chloro-2-[(thiophen-3-ylamino)methyl]phenol

C11H10ClNOS — CID 66351861

IUPAC4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1ccsc1
InChIInChI=1S/C11H10ClNOS/c12-9-1-2-11(14)8(5-9)6-13-10-3-4-15-7-10/h1-5,7,13-14H,6H2
InChIKeyAVCQUAPSYHNYRE-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol

4-chloro-2-[(thiophen-3-ylamino)methyl]phenol (PubChem CID 66351861) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
PubChem CID66351861
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1ccsc1
InChIInChI=1S/C11H10ClNOS/c12-9-1-2-11(14)8(5-9)6-13-10-3-4-15-7-10/h1-5,7,13-14H,6H2
InChIKeyAVCQUAPSYHNYRE-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(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

N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
CID 112652146
4-chloro-2-[[3-[(dimethylamino)methyl]anilino]methyl]phenol
CID 43688843
4-fluoro-3-[(thiophen-3-ylamino)methyl]benzoic acid
CID 107453046
3-[(5-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 43321865
2-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]-4-chlorophenol
CID 114050301
2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 43714112
[(5-chloro-2-hydroxyphenyl)methylamino]carbamic acid
CID 123714049
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
2-[(5-bromo-2-methylanilino)methyl]-4-chlorophenol
CID 43729647
4-chloro-2-[(pyridin-2-ylamino)methyl]phenol
CID 890711
4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 29031159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol (CID 66351861) is 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol is Oc1ccc(Cl)cc1CNc1ccsc1.
What is the InChIKey of 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol?
The InChIKey is AVCQUAPSYHNYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-9-1-2-11(14)8(5-9)6-13-10-3-4-15-7-10/h1-5,7,13-14H,6H2.
What are the key properties of 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol?
4-chloro-2-[(thiophen-3-ylamino)methyl]phenol has a molecular weight of 239.73 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(thiophen-3-ylamino)methyl]phenol is sourced from PubChem (CID 66351861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).