4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine

C18H20ClNO3 — CID 154064131

IUPAC4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
SMILESCOc1cc(Cl)ccc1O[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20ClNO3/c1-21-17-13-15(19)7-8-16(17)23-18(14-5-3-2-4-6-14)20-9-11-22-12-10-20/h2-8,13,18H,9-12H2,1H3/t18-/m0/s1
InChIKeyRBZOLDNYHHWNSO-SFHVURJKSA-N
MW333.82 g/mol
LogP3.76
Rot. Bonds5

About 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine

4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine (PubChem CID 154064131) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
PubChem CID154064131
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
SMILESCOc1cc(Cl)ccc1O[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20ClNO3/c1-21-17-13-15(19)7-8-16(17)23-18(14-5-3-2-4-6-14)20-9-11-22-12-10-20/h2-8,13,18H,9-12H2,1H3/t18-/m0/s1
InChIKeyRBZOLDNYHHWNSO-SFHVURJKSA-N
XLogP3.76
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol
CID 119123506
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 16563869
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 60958211
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The IUPAC name of 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine (CID 154064131) is 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine is COc1cc(Cl)ccc1O[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The InChIKey is RBZOLDNYHHWNSO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-21-17-13-15(19)7-8-16(17)23-18(14-5-3-2-4-6-14)20-9-11-22-12-10-20/h2-8,13,18H,9-12H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine has a molecular weight of 333.82 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 154064131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).