[4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol

C16H26N2O3 — CID 81193946

IUPAC[4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol
SMILESCOCCNCc1ccc(N2CC(CO)OCC2C)cc1
InChIInChI=1S/C16H26N2O3/c1-13-12-21-16(11-19)10-18(13)15-5-3-14(4-6-15)9-17-7-8-20-2/h3-6,13,16-17,19H,7-12H2,1-2H3
InChIKeyXIMYHVGGWRAOLM-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.01
Rot. Bonds7

About [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol

[4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81193946) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81193946
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol
SMILESCOCCNCc1ccc(N2CC(CO)OCC2C)cc1
InChIInChI=1S/C16H26N2O3/c1-13-12-21-16(11-19)10-18(13)15-5-3-14(4-6-15)9-17-7-8-20-2/h3-6,13,16-17,19H,7-12H2,1-2H3
InChIKeyXIMYHVGGWRAOLM-UHFFFAOYSA-N
XLogP1.01
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol (CID 81193946) is [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol is COCCNCc1ccc(N2CC(CO)OCC2C)cc1.
What is the InChIKey of [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is XIMYHVGGWRAOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13-12-21-16(11-19)10-18(13)15-5-3-14(4-6-15)9-17-7-8-20-2/h3-6,13,16-17,19H,7-12H2,1-2H3.
What are the key properties of [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol?
[4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).