3-(3-aminopropyl)-N-(2-methoxyethyl)aniline

C12H20N2O — CID 123903050

IUPAC3-(3-aminopropyl)-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cccc(CCCN)c1
InChIInChI=1S/C12H20N2O/c1-15-9-8-14-12-6-2-4-11(10-12)5-3-7-13/h2,4,6,10,14H,3,5,7-9,13H2,1H3
InChIKeyFVAIJVBIUMXGOU-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.64
Rot. Bonds7

About 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline

3-(3-aminopropyl)-N-(2-methoxyethyl)aniline (PubChem CID 123903050) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3-(3-aminopropyl)-N-(2-methoxyethyl)aniline
PubChem CID123903050
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(3-aminopropyl)-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cccc(CCCN)c1
InChIInChI=1S/C12H20N2O/c1-15-9-8-14-12-6-2-4-11(10-12)5-3-7-13/h2,4,6,10,14H,3,5,7-9,13H2,1H3
InChIKeyFVAIJVBIUMXGOU-UHFFFAOYSA-N
XLogP1.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline?
The IUPAC name of 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline (CID 123903050) is 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline is COCCNc1cccc(CCCN)c1.
What is the InChIKey of 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline?
The InChIKey is FVAIJVBIUMXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-9-8-14-12-6-2-4-11(10-12)5-3-7-13/h2,4,6,10,14H,3,5,7-9,13H2,1H3.
What are the key properties of 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline?
3-(3-aminopropyl)-N-(2-methoxyethyl)aniline has a molecular weight of 208.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 123903050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).