3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline

C13H20N2O — CID 43263758

IUPAC3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
SMILESCCN(Cc1cc(N)ccc1OC)C1CC1
InChIInChI=1S/C13H20N2O/c1-3-15(12-5-6-12)9-10-8-11(14)4-7-13(10)16-2/h4,7-8,12H,3,5-6,9,14H2,1-2H3
InChIKeyYRNDVBRCJXZQRS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.26
Rot. Bonds5

About 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline

3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline (PubChem CID 43263758) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
PubChem CID43263758
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
SMILESCCN(Cc1cc(N)ccc1OC)C1CC1
InChIInChI=1S/C13H20N2O/c1-3-15(12-5-6-12)9-10-8-11(14)4-7-13(10)16-2/h4,7-8,12H,3,5-6,9,14H2,1-2H3
InChIKeyYRNDVBRCJXZQRS-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
The IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline (CID 43263758) is 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
The canonical SMILES for 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline is CCN(Cc1cc(N)ccc1OC)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
The InChIKey is YRNDVBRCJXZQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-15(12-5-6-12)9-10-8-11(14)4-7-13(10)16-2/h4,7-8,12H,3,5-6,9,14H2,1-2H3.
What are the key properties of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline has a molecular weight of 220.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline is sourced from PubChem (CID 43263758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).