(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine

C19H21ClFNO3 — CID 127029388

IUPAC(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine
SMILESCOc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl
InChIInChI=1S/C19H21ClFNO3/c1-23-19-9-14(5-6-18(19)20)11-22-7-8-24-17(12-22)13-25-16-4-2-3-15(21)10-16/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m0/s1
InChIKeyJUYWJQVJQQTCOE-KRWDZBQOSA-N
MW365.83 g/mol
LogP3.77
Rot. Bonds6

About (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine

(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine (PubChem CID 127029388) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine
PubChem CID127029388
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine
SMILESCOc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl
InChIInChI=1S/C19H21ClFNO3/c1-23-19-9-14(5-6-18(19)20)11-22-7-8-24-17(12-22)13-25-16-4-2-3-15(21)10-16/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m0/s1
InChIKeyJUYWJQVJQQTCOE-KRWDZBQOSA-N
XLogP3.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine?
The IUPAC name of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine (CID 127029388) is (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine.
What is the SMILES notation for (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine?
The canonical SMILES for (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine is COc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl.
What is the InChIKey of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine?
The InChIKey is JUYWJQVJQQTCOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-23-19-9-14(5-6-18(19)20)11-22-7-8-24-17(12-22)13-25-16-4-2-3-15(21)10-16/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine?
(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine has a molecular weight of 365.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine is sourced from PubChem (CID 127029388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).