(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol

C22H22FNO2 — CID 1470711

IUPAC(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1cccc(CNC[C@@](O)(c2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H22FNO2/c1-26-21-9-5-6-17(14-21)15-24-16-22(25,18-7-3-2-4-8-18)19-10-12-20(23)13-11-19/h2-14,24-25H,15-16H2,1H3/t22-/m1/s1
InChIKeyLRIMENLXBBPYBL-JOCHJYFZSA-N
MW351.42 g/mol
LogP3.86
Rot. Bonds7

About (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol

(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 1470711) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
PubChem CID1470711
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1cccc(CNC[C@@](O)(c2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H22FNO2/c1-26-21-9-5-6-17(14-21)15-24-16-22(25,18-7-3-2-4-8-18)19-10-12-20(23)13-11-19/h2-14,24-25H,15-16H2,1H3/t22-/m1/s1
InChIKeyLRIMENLXBBPYBL-JOCHJYFZSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
CID 7036964
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 75176308
[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
CID 7036971
2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702080
(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
CID 173239811
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
N-[(3-ethoxyphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 60957806
N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine;oxalic acid
CID 17367770
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol (CID 1470711) is (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol is COc1cccc(CNC[C@@](O)(c2ccccc2)c2ccc(F)cc2)c1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is LRIMENLXBBPYBL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22FNO2/c1-26-21-9-5-6-17(14-21)15-24-16-22(25,18-7-3-2-4-8-18)19-10-12-20(23)13-11-19/h2-14,24-25H,15-16H2,1H3/t22-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol?
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 351.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 1470711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).