(2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol

C21H28FNO3 — CID 146423848

IUPAC(2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
SMILESCN(C)CC[C@@H](O)COc1ccccc1CCc1cccc(OCF)c1
InChIInChI=1S/C21H28FNO3/c1-23(2)13-12-19(24)15-25-21-9-4-3-7-18(21)11-10-17-6-5-8-20(14-17)26-16-22/h3-9,14,19,24H,10-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyWMSKVEZAMONAQM-LJQANCHMSA-N
MW361.46 g/mol
LogP3.47
Rot. Bonds11

About (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol

(2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol (PubChem CID 146423848) has the molecular formula C21H28FNO3 and a molecular weight of 361.46 g/mol. Its IUPAC name is (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
PubChem CID146423848
Molecular FormulaC21H28FNO3
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name(2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
SMILESCN(C)CC[C@@H](O)COc1ccccc1CCc1cccc(OCF)c1
InChIInChI=1S/C21H28FNO3/c1-23(2)13-12-19(24)15-25-21-9-4-3-7-18(21)11-10-17-6-5-8-20(14-17)26-16-22/h3-9,14,19,24H,10-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyWMSKVEZAMONAQM-LJQANCHMSA-N
XLogP3.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[methyl(trifluoromethyl)amino]-1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 174994502
1-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]-4-(dimethylamino)butan-2-ol;N-(difluoromethyl)-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine;4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol;4-(dimethylamino)-1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol;N-(fluoromethyl)-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine;3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N,N-bis(trifluoromethyl)butan-1-amine
CID 159109314
N,N-dimethyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine
CID 146438832
(2S)-4-[difluoromethyl(trifluoromethyl)amino]-1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 174996745
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 135373025
1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]-3-methoxy-N,N-dimethylbutan-1-amine
CID 175806278
4-[[2-hydroxy-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]-methylamino]-4-oxobutanoic acid
CID 169437800
(3R)-N-(difluoromethyl)-N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine
CID 135372784
(3R)-N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine
CID 135372992
N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine
CID 146438833
2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 11197455

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
The IUPAC name of (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol (CID 146423848) is (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
The canonical SMILES for (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol is CN(C)CC[C@@H](O)COc1ccccc1CCc1cccc(OCF)c1.
What is the InChIKey of (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
The InChIKey is WMSKVEZAMONAQM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28FNO3/c1-23(2)13-12-19(24)15-25-21-9-4-3-7-18(21)11-10-17-6-5-8-20(14-17)26-16-22/h3-9,14,19,24H,10-13,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
(2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol has a molecular weight of 361.46 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 146423848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).