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

C18H21F2NO3 — CID 2119815

IUPAC(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
SMILESCOc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO3/c1-21(12-15(22)14-6-4-3-5-7-14)11-13-8-9-16(24-18(19)20)17(10-13)23-2/h3-10,15,18,22H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyXEZVHACTMHITCR-HNNXBMFYSA-N
MW337.37 g/mol
LogP3.46
Rot. Bonds8

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

(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol (PubChem CID 2119815) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
PubChem CID2119815
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
SMILESCOc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO3/c1-21(12-15(22)14-6-4-3-5-7-14)11-13-8-9-16(24-18(19)20)17(10-13)23-2/h3-10,15,18,22H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyXEZVHACTMHITCR-HNNXBMFYSA-N
XLogP3.46
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
CID 13248722
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
(2R)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 2508986
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 55346663
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823902
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
CID 111825465
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
N'-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912637

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol (CID 2119815) is (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol is COc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol?
The InChIKey is XEZVHACTMHITCR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-21(12-15(22)14-6-4-3-5-7-14)11-13-8-9-16(24-18(19)20)17(10-13)23-2/h3-10,15,18,22H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol?
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol has a molecular weight of 337.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 2119815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).