N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C18H25ClN2O2 — CID 86795754

IUPACN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCN1CCOC(C(NC2CC3CCC2O3)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-21-8-9-22-17(11-21)18(12-2-4-13(19)5-3-12)20-15-10-14-6-7-16(15)23-14/h2-5,14-18,20H,6-11H2,1H3
InChIKeyAORSKCYCNVZNBE-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 86795754) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID86795754
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCN1CCOC(C(NC2CC3CCC2O3)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-21-8-9-22-17(11-21)18(12-2-4-13(19)5-3-12)20-15-10-14-6-7-16(15)23-14/h2-5,14-18,20H,6-11H2,1H3
InChIKeyAORSKCYCNVZNBE-UHFFFAOYSA-N
XLogP2.62
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 86795754) is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is CN1CCOC(C(NC2CC3CCC2O3)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is AORSKCYCNVZNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-21-8-9-22-17(11-21)18(12-2-4-13(19)5-3-12)20-15-10-14-6-7-16(15)23-14/h2-5,14-18,20H,6-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 336.86 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 86795754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).