2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol

C13H14FNOS — CID 112606678

IUPAC2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
SMILESOc1c(F)cccc1CNCCc1ccsc1
InChIInChI=1S/C13H14FNOS/c14-12-3-1-2-11(13(12)16)8-15-6-4-10-5-7-17-9-10/h1-3,5,7,9,15-16H,4,6,8H2
InChIKeyNNLBMVCSIDWTPL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.93
Rot. Bonds5

About 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol

2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol (PubChem CID 112606678) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
PubChem CID112606678
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
SMILESOc1c(F)cccc1CNCCc1ccsc1
InChIInChI=1S/C13H14FNOS/c14-12-3-1-2-11(13(12)16)8-15-6-4-10-5-7-17-9-10/h1-3,5,7,9,15-16H,4,6,8H2
InChIKeyNNLBMVCSIDWTPL-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606838
2,4-dichloro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
CID 54953211
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
2-fluoro-6-[[(4-methylthiophen-3-yl)methylamino]methyl]phenol
CID 112607074
N-[(2-bromo-5-chlorophenyl)methyl]-2-thiophen-3-ylethanamine
CID 66159781
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol
CID 103948161
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
CID 115526406

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol (CID 112606678) is 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol is Oc1c(F)cccc1CNCCc1ccsc1.
What is the InChIKey of 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol?
The InChIKey is NNLBMVCSIDWTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-12-3-1-2-11(13(12)16)8-15-6-4-10-5-7-17-9-10/h1-3,5,7,9,15-16H,4,6,8H2.
What are the key properties of 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol?
2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol has a molecular weight of 251.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-thiophen-3-ylethylamino)methyl]phenol is sourced from PubChem (CID 112606678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).