4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol

C15H15ClFNO — CID 107685896

IUPAC4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
SMILESC[C@@H](NCc1ccc(O)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(12-3-2-4-13(16)8-12)18-9-11-5-6-15(19)14(17)7-11/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1
InChIKeyABBZZTUSVXRFAN-SNVBAGLBSA-N
MW279.74 g/mol
LogP4.04
Rot. Bonds4

About 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol

4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol (PubChem CID 107685896) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
PubChem CID107685896
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
SMILESC[C@@H](NCc1ccc(O)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(12-3-2-4-13(16)8-12)18-9-11-5-6-15(19)14(17)7-11/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1
InChIKeyABBZZTUSVXRFAN-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

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Related Compounds

4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700279
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol (CID 107685896) is 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol is C[C@@H](NCc1ccc(O)c(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol?
The InChIKey is ABBZZTUSVXRFAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(12-3-2-4-13(16)8-12)18-9-11-5-6-15(19)14(17)7-11/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1.
What are the key properties of 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol?
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol 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 4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol is sourced from PubChem (CID 107685896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).