2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol

C15H15ClFNO — CID 103940685

IUPAC2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cccc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C15H15ClFNO/c1-10(12-6-2-3-8-14(12)17)18-9-11-5-4-7-13(16)15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1
InChIKeyXFYUMNCUWNBZEY-SNVBAGLBSA-N
MW279.74 g/mol
LogP4.04
Rot. Bonds4

About 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol

2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol (PubChem CID 103940685) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
PubChem CID103940685
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cccc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C15H15ClFNO/c1-10(12-6-2-3-8-14(12)17)18-9-11-5-4-7-13(16)15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1
InChIKeyXFYUMNCUWNBZEY-SNVBAGLBSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.04
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-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 81380179
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
CID 115951107
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol (CID 103940685) is 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol is C[C@@H](NCc1cccc(Cl)c1O)c1ccccc1F.
What is the InChIKey of 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
The InChIKey is XFYUMNCUWNBZEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(12-6-2-3-8-14(12)17)18-9-11-5-4-7-13(16)15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1.
What are the key properties of 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol?
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol has a molecular weight of 279.74 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 103940685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).