4-[(4-methylcyclohexyl)-phenylmethyl]morpholine

C18H27NO — CID 91473970

IUPAC4-[(4-methylcyclohexyl)-phenylmethyl]morpholine
SMILESCC1CCC(C(c2ccccc2)N2CCOCC2)CC1
InChIInChI=1S/C18H27NO/c1-15-7-9-17(10-8-15)18(16-5-3-2-4-6-16)19-11-13-20-14-12-19/h2-6,15,17-18H,7-14H2,1H3
InChIKeyJBMZKTJPXCKJBM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.89
Rot. Bonds3

About 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine

4-[(4-methylcyclohexyl)-phenylmethyl]morpholine (PubChem CID 91473970) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)-phenylmethyl]morpholine
PubChem CID91473970
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-[(4-methylcyclohexyl)-phenylmethyl]morpholine
SMILESCC1CCC(C(c2ccccc2)N2CCOCC2)CC1
InChIInChI=1S/C18H27NO/c1-15-7-9-17(10-8-15)18(16-5-3-2-4-6-16)19-11-13-20-14-12-19/h2-6,15,17-18H,7-14H2,1H3
InChIKeyJBMZKTJPXCKJBM-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine?
The IUPAC name of 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine (CID 91473970) is 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine.
What is the SMILES notation for 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine?
The canonical SMILES for 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine is CC1CCC(C(c2ccccc2)N2CCOCC2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine?
The InChIKey is JBMZKTJPXCKJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15-7-9-17(10-8-15)18(16-5-3-2-4-6-16)19-11-13-20-14-12-19/h2-6,15,17-18H,7-14H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine?
4-[(4-methylcyclohexyl)-phenylmethyl]morpholine has a molecular weight of 273.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)-phenylmethyl]morpholine is sourced from PubChem (CID 91473970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).