[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol

C15H23ClN2O2 — CID 114777539

IUPAC[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNCc1ccc(N2CC(CO)OC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-15(2)10-18(8-12(9-19)20-15)14-5-4-11(7-17-3)6-13(14)16/h4-6,12,17,19H,7-10H2,1-3H3
InChIKeyXXDGTBDLTAQSSO-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.04
Rot. Bonds4

About [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114777539) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114777539
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCNCc1ccc(N2CC(CO)OC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-15(2)10-18(8-12(9-19)20-15)14-5-4-11(7-17-3)6-13(14)16/h4-6,12,17,19H,7-10H2,1-3H3
InChIKeyXXDGTBDLTAQSSO-UHFFFAOYSA-N
XLogP2.04
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114777539) is [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol is CNCc1ccc(N2CC(CO)OC(C)(C)C2)c(Cl)c1.
What is the InChIKey of [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is XXDGTBDLTAQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2)10-18(8-12(9-19)20-15)14-5-4-11(7-17-3)6-13(14)16/h4-6,12,17,19H,7-10H2,1-3H3.
What are the key properties of [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 298.81 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114777539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).