4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine

C20H28ClNO — CID 174383793

IUPAC4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine
SMILESCC1CN(C2CC2c2ccc(C3CCCCC3)c(Cl)c2)CCO1
InChIInChI=1S/C20H28ClNO/c1-14-13-22(9-10-23-14)20-12-18(20)16-7-8-17(19(21)11-16)15-5-3-2-4-6-15/h7-8,11,14-15,18,20H,2-6,9-10,12-13H2,1H3
InChIKeyQGDHYXSMOGJPCK-UHFFFAOYSA-N
MW333.90 g/mol
LogP4.96
Rot. Bonds3

About 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine

4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine (PubChem CID 174383793) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine
PubChem CID174383793
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine
SMILESCC1CN(C2CC2c2ccc(C3CCCCC3)c(Cl)c2)CCO1
InChIInChI=1S/C20H28ClNO/c1-14-13-22(9-10-23-14)20-12-18(20)16-7-8-17(19(21)11-16)15-5-3-2-4-6-15/h7-8,11,14-15,18,20H,2-6,9-10,12-13H2,1H3
InChIKeyQGDHYXSMOGJPCK-UHFFFAOYSA-N
XLogP4.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine?
The IUPAC name of 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine (CID 174383793) is 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine?
The canonical SMILES for 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine is CC1CN(C2CC2c2ccc(C3CCCCC3)c(Cl)c2)CCO1.
What is the InChIKey of 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine?
The InChIKey is QGDHYXSMOGJPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO/c1-14-13-22(9-10-23-14)20-12-18(20)16-7-8-17(19(21)11-16)15-5-3-2-4-6-15/h7-8,11,14-15,18,20H,2-6,9-10,12-13H2,1H3.
What are the key properties of 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine?
4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine has a molecular weight of 333.90 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine is sourced from PubChem (CID 174383793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).