(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol

C17H28N2O4 — CID 98767477

IUPAC(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
SMILESCOc1ccc(OC)c([C@H](O)CN2CCO[C@H](CN(C)C)C2)c1
InChIInChI=1S/C17H28N2O4/c1-18(2)10-14-11-19(7-8-23-14)12-16(20)15-9-13(21-3)5-6-17(15)22-4/h5-6,9,14,16,20H,7-8,10-12H2,1-4H3/t14-,16-/m1/s1
InChIKeySRNZWVTUUUPJRX-GDBMZVCRSA-N
MW324.42 g/mol
LogP1.00
Rot. Bonds7

About (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol

(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol (PubChem CID 98767477) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
PubChem CID98767477
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
SMILESCOc1ccc(OC)c([C@H](O)CN2CCO[C@H](CN(C)C)C2)c1
InChIInChI=1S/C17H28N2O4/c1-18(2)10-14-11-19(7-8-23-14)12-16(20)15-9-13(21-3)5-6-17(15)22-4/h5-6,9,14,16,20H,7-8,10-12H2,1-4H3/t14-,16-/m1/s1
InChIKeySRNZWVTUUUPJRX-GDBMZVCRSA-N
XLogP1.00
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 95322001
(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 100842404
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
(1S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 100842396
1-[(2S)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 97199210
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
1-[(2R)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95347452
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol
CID 56780884
(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
CID 52905693
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol (CID 98767477) is (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol is COc1ccc(OC)c([C@H](O)CN2CCO[C@H](CN(C)C)C2)c1.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
The InChIKey is SRNZWVTUUUPJRX-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-18(2)10-14-11-19(7-8-23-14)12-16(20)15-9-13(21-3)5-6-17(15)22-4/h5-6,9,14,16,20H,7-8,10-12H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol has a molecular weight of 324.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol is sourced from PubChem (CID 98767477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).