4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine

C20H28ClNO — CID 174383794

IUPAC4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine
SMILESCC1CN(C2CC2c2ccc(C3CCCC(Cl)C3)cc2)CCO1
InChIInChI=1S/C20H28ClNO/c1-14-13-22(9-10-23-14)20-12-19(20)16-7-5-15(6-8-16)17-3-2-4-18(21)11-17/h5-8,14,17-20H,2-4,9-13H2,1H3
InChIKeyOTNVHGHPIRQSAQ-UHFFFAOYSA-N
MW333.90 g/mol
LogP4.53
Rot. Bonds3

About 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine

4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine (PubChem CID 174383794) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine
PubChem CID174383794
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine
SMILESCC1CN(C2CC2c2ccc(C3CCCC(Cl)C3)cc2)CCO1
InChIInChI=1S/C20H28ClNO/c1-14-13-22(9-10-23-14)20-12-19(20)16-7-5-15(6-8-16)17-3-2-4-18(21)11-17/h5-8,14,17-20H,2-4,9-13H2,1H3
InChIKeyOTNVHGHPIRQSAQ-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine?
The IUPAC name of 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine (CID 174383794) is 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine?
The canonical SMILES for 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine is CC1CN(C2CC2c2ccc(C3CCCC(Cl)C3)cc2)CCO1.
What is the InChIKey of 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine?
The InChIKey is OTNVHGHPIRQSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO/c1-14-13-22(9-10-23-14)20-12-19(20)16-7-5-15(6-8-16)17-3-2-4-18(21)11-17/h5-8,14,17-20H,2-4,9-13H2,1H3.
What are the key properties of 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine?
4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine has a molecular weight of 333.90 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chlorocyclohexyl)phenyl]cyclopropyl]-2-methylmorpholine is sourced from PubChem (CID 174383794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).