3-[2-methoxy-2-(methylamino)ethyl]aniline

C10H16N2O — CID 154269600

IUPAC3-[2-methoxy-2-(methylamino)ethyl]aniline
SMILESCNC(Cc1cccc(N)c1)OC
InChIInChI=1S/C10H16N2O/c1-12-10(13-2)7-8-4-3-5-9(11)6-8/h3-6,10,12H,7,11H2,1-2H3
InChIKeyIBCYONPMXFJDFZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.00
Rot. Bonds4

About 3-[2-methoxy-2-(methylamino)ethyl]aniline

3-[2-methoxy-2-(methylamino)ethyl]aniline (PubChem CID 154269600) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[2-methoxy-2-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name3-[2-methoxy-2-(methylamino)ethyl]aniline
PubChem CID154269600
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[2-methoxy-2-(methylamino)ethyl]aniline
SMILESCNC(Cc1cccc(N)c1)OC
InChIInChI=1S/C10H16N2O/c1-12-10(13-2)7-8-4-3-5-9(11)6-8/h3-6,10,12H,7,11H2,1-2H3
InChIKeyIBCYONPMXFJDFZ-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-2-(methylamino)ethyl]aniline?
The IUPAC name of 3-[2-methoxy-2-(methylamino)ethyl]aniline (CID 154269600) is 3-[2-methoxy-2-(methylamino)ethyl]aniline.
What is the SMILES notation for 3-[2-methoxy-2-(methylamino)ethyl]aniline?
The canonical SMILES for 3-[2-methoxy-2-(methylamino)ethyl]aniline is CNC(Cc1cccc(N)c1)OC.
What is the InChIKey of 3-[2-methoxy-2-(methylamino)ethyl]aniline?
The InChIKey is IBCYONPMXFJDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-10(13-2)7-8-4-3-5-9(11)6-8/h3-6,10,12H,7,11H2,1-2H3.
What are the key properties of 3-[2-methoxy-2-(methylamino)ethyl]aniline?
3-[2-methoxy-2-(methylamino)ethyl]aniline has a molecular weight of 180.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-2-(methylamino)ethyl]aniline is sourced from PubChem (CID 154269600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).