4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide

C16H25N3O2 — CID 107657195

IUPAC4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)19-6-7-20-14(9-19)10-21-15-8-13(16(17)18)5-4-12(15)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H3,17,18)
InChIKeyNDWYLORYOVDSLX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.77
Rot. Bonds5

About 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide

4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide (PubChem CID 107657195) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide
PubChem CID107657195
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)19-6-7-20-14(9-19)10-21-15-8-13(16(17)18)5-4-12(15)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H3,17,18)
InChIKeyNDWYLORYOVDSLX-UHFFFAOYSA-N
XLogP1.77
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 107656463
4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666488
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 64532520
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide (CID 107657195) is 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCC2CN(C(C)C)CCO2)c1.
What is the InChIKey of 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide?
The InChIKey is NDWYLORYOVDSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)19-6-7-20-14(9-19)10-21-15-8-13(16(17)18)5-4-12(15)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H3,17,18).
What are the key properties of 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide?
4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107657195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).