3-[methoxy(phenyl)methoxy]propane-1,2-diamine

C11H18N2O2 — CID 70238374

IUPAC3-[methoxy(phenyl)methoxy]propane-1,2-diamine
SMILESCOC(OCC(N)CN)c1ccccc1
InChIInChI=1S/C11H18N2O2/c1-14-11(15-8-10(13)7-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8,12-13H2,1H3
InChIKeyJDCVNJOLEJPJAE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.63
Rot. Bonds6

About 3-[methoxy(phenyl)methoxy]propane-1,2-diamine

3-[methoxy(phenyl)methoxy]propane-1,2-diamine (PubChem CID 70238374) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[methoxy(phenyl)methoxy]propane-1,2-diamine.

Molecular Properties

Compound Name3-[methoxy(phenyl)methoxy]propane-1,2-diamine
PubChem CID70238374
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[methoxy(phenyl)methoxy]propane-1,2-diamine
SMILESCOC(OCC(N)CN)c1ccccc1
InChIInChI=1S/C11H18N2O2/c1-14-11(15-8-10(13)7-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8,12-13H2,1H3
InChIKeyJDCVNJOLEJPJAE-UHFFFAOYSA-N
XLogP0.63
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
3-methoxy-2-phenylpropan-1-amine
CID 66968828
[methoxy(prop-2-ynoxy)methyl]benzene
CID 150071968
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
2-methoxy-3-phenylbutan-1-amine
CID 66071958
(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine
CID 102109618
2-methoxy-4-phenylpentan-1-amine
CID 66072374
[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene
CID 145422856
3-amino-4-methoxy-1-phenylbutan-1-ol
CID 112704167
2-methoxy-1-phenylbutan-1-amine
CID 43211581
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1,1-diphenyl-3-propan-2-yloxypropan-2-amine
CID 79574233

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(phenyl)methoxy]propane-1,2-diamine?
The IUPAC name of 3-[methoxy(phenyl)methoxy]propane-1,2-diamine (CID 70238374) is 3-[methoxy(phenyl)methoxy]propane-1,2-diamine.
What is the SMILES notation for 3-[methoxy(phenyl)methoxy]propane-1,2-diamine?
The canonical SMILES for 3-[methoxy(phenyl)methoxy]propane-1,2-diamine is COC(OCC(N)CN)c1ccccc1.
What is the InChIKey of 3-[methoxy(phenyl)methoxy]propane-1,2-diamine?
The InChIKey is JDCVNJOLEJPJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-11(15-8-10(13)7-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8,12-13H2,1H3.
What are the key properties of 3-[methoxy(phenyl)methoxy]propane-1,2-diamine?
3-[methoxy(phenyl)methoxy]propane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(phenyl)methoxy]propane-1,2-diamine is sourced from PubChem (CID 70238374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).