2-[3-[methoxy(methyl)amino]propoxy]aniline

C11H18N2O2 — CID 43627567

IUPAC2-[3-[methoxy(methyl)amino]propoxy]aniline
SMILESCON(C)CCCOc1ccccc1N
InChIInChI=1S/C11H18N2O2/c1-13(14-2)8-5-9-15-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9,12H2,1-2H3
InChIKeyVNVXCUBPKXUWNC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.53
Rot. Bonds6

About 2-[3-[methoxy(methyl)amino]propoxy]aniline

2-[3-[methoxy(methyl)amino]propoxy]aniline (PubChem CID 43627567) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3-[methoxy(methyl)amino]propoxy]aniline.

Molecular Properties

Compound Name2-[3-[methoxy(methyl)amino]propoxy]aniline
PubChem CID43627567
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[3-[methoxy(methyl)amino]propoxy]aniline
SMILESCON(C)CCCOc1ccccc1N
InChIInChI=1S/C11H18N2O2/c1-13(14-2)8-5-9-15-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9,12H2,1-2H3
InChIKeyVNVXCUBPKXUWNC-UHFFFAOYSA-N
XLogP1.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
2-[3-[methyl(3-methylsulfanylpropyl)amino]propoxy]aniline
CID 114236527
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120
2-octoxyaniline
CID 14747235
N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine
CID 43296257
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[2-(N,4-dimethylanilino)ethoxy]aniline
CID 55134719
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methoxy(methyl)amino]propoxy]aniline?
The IUPAC name of 2-[3-[methoxy(methyl)amino]propoxy]aniline (CID 43627567) is 2-[3-[methoxy(methyl)amino]propoxy]aniline.
What is the SMILES notation for 2-[3-[methoxy(methyl)amino]propoxy]aniline?
The canonical SMILES for 2-[3-[methoxy(methyl)amino]propoxy]aniline is CON(C)CCCOc1ccccc1N.
What is the InChIKey of 2-[3-[methoxy(methyl)amino]propoxy]aniline?
The InChIKey is VNVXCUBPKXUWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(14-2)8-5-9-15-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9,12H2,1-2H3.
What are the key properties of 2-[3-[methoxy(methyl)amino]propoxy]aniline?
2-[3-[methoxy(methyl)amino]propoxy]aniline has a molecular weight of 210.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methoxy(methyl)amino]propoxy]aniline is sourced from PubChem (CID 43627567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).