4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine

C21H26ClNO3 — CID 11303390

IUPAC4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine
SMILESCC(C)Oc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H26ClNO3/c1-16(2)26-21-6-4-3-5-20(21)25-15-19-14-23(11-12-24-19)13-17-7-9-18(22)10-8-17/h3-10,16,19H,11-15H2,1-2H3
InChIKeyNDZVZCZUKOWNRP-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.41
Rot. Bonds7

About 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine

4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine (PubChem CID 11303390) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine
PubChem CID11303390
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine
SMILESCC(C)Oc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H26ClNO3/c1-16(2)26-21-6-4-3-5-20(21)25-15-19-14-23(11-12-24-19)13-17-7-9-18(22)10-8-17/h3-10,16,19H,11-15H2,1-2H3
InChIKeyNDZVZCZUKOWNRP-UHFFFAOYSA-N
XLogP4.41
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine (CID 11303390) is 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine is CC(C)Oc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine?
The InChIKey is NDZVZCZUKOWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-16(2)26-21-6-4-3-5-20(21)25-15-19-14-23(11-12-24-19)13-17-7-9-18(22)10-8-17/h3-10,16,19H,11-15H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine?
4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine has a molecular weight of 375.90 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[(2-propan-2-yloxyphenoxy)methyl]morpholine is sourced from PubChem (CID 11303390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).