2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol

C15H14Cl2FNO — CID 81380179

IUPAC2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C15H14Cl2FNO/c1-9(12-4-2-3-5-14(12)18)19-8-10-6-11(16)7-13(17)15(10)20/h2-7,9,19-20H,8H2,1H3/t9-/m1/s1
InChIKeyOCIVBLVLLGDCMU-SECBINFHSA-N
MW314.19 g/mol
LogP4.69
Rot. Bonds4

About 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol

2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol (PubChem CID 81380179) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
PubChem CID81380179
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C15H14Cl2FNO/c1-9(12-4-2-3-5-14(12)18)19-8-10-6-11(16)7-13(17)15(10)20/h2-7,9,19-20H,8H2,1H3/t9-/m1/s1
InChIKeyOCIVBLVLLGDCMU-SECBINFHSA-N
XLogP4.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 114452647
(1R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104928542
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-4,6-dichlorophenol
CID 81359211
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol (CID 81380179) is 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol is C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccccc1F.
What is the InChIKey of 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
The InChIKey is OCIVBLVLLGDCMU-SECBINFHSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9(12-4-2-3-5-14(12)18)19-8-10-6-11(16)7-13(17)15(10)20/h2-7,9,19-20H,8H2,1H3/t9-/m1/s1.
What are the key properties of 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol has a molecular weight of 314.19 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81380179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).