2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol

C15H14ClF2NO — CID 115905940

IUPAC2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
SMILESOc1c(Cl)cccc1CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO/c16-14-3-1-2-11(15(14)20)9-19-5-4-10-6-12(17)8-13(18)7-10/h1-3,6-8,19-20H,4-5,9H2
InChIKeyNOJNKNSAOLJTHE-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.66
Rot. Bonds5

About 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol

2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol (PubChem CID 115905940) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
PubChem CID115905940
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
SMILESOc1c(Cl)cccc1CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO/c16-14-3-1-2-11(15(14)20)9-19-5-4-10-6-12(17)8-13(18)7-10/h1-3,6-8,19-20H,4-5,9H2
InChIKeyNOJNKNSAOLJTHE-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 115908417
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
2-chloro-6-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112554405
2-chloro-6-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 112568744
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
2-chloro-6-[(pent-3-ynylamino)methyl]phenol
CID 115978358
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315529
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol (CID 115905940) is 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol is Oc1c(Cl)cccc1CNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol?
The InChIKey is NOJNKNSAOLJTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-14-3-1-2-11(15(14)20)9-19-5-4-10-6-12(17)8-13(18)7-10/h1-3,6-8,19-20H,4-5,9H2.
What are the key properties of 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol?
2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol has a molecular weight of 297.73 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 115905940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).