2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol

C19H21Cl2NO3 — CID 95402420

IUPAC2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H21Cl2NO3/c20-16-6-5-14(11-17(16)21)19-13-22(7-9-24-19)12-15-3-1-2-4-18(15)25-10-8-23/h1-6,11,19,23H,7-10,12-13H2/t19-/m0/s1
InChIKeyWPIMYJVVBYRYSS-IBGZPJMESA-N
MW382.29 g/mol
LogP3.94
Rot. Bonds6

About 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol

2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol (PubChem CID 95402420) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
PubChem CID95402420
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H21Cl2NO3/c20-16-6-5-14(11-17(16)21)19-13-22(7-9-24-19)12-15-3-1-2-4-18(15)25-10-8-23/h1-6,11,19,23H,7-10,12-13H2/t19-/m0/s1
InChIKeyWPIMYJVVBYRYSS-IBGZPJMESA-N
XLogP3.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
CID 56868827
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95557665
2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 56919206
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol (CID 95402420) is 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol is OCCOc1ccccc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol?
The InChIKey is WPIMYJVVBYRYSS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c20-16-6-5-14(11-17(16)21)19-13-22(7-9-24-19)12-15-3-1-2-4-18(15)25-10-8-23/h1-6,11,19,23H,7-10,12-13H2/t19-/m0/s1.
What are the key properties of 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol?
2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol has a molecular weight of 382.29 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 95402420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).