3-[(2-methoxyethylamino)methyl]aniline

C10H16N2O — CID 62544468

IUPAC3-[(2-methoxyethylamino)methyl]aniline
SMILESCOCCNCc1cccc(N)c1
InChIInChI=1S/C10H16N2O/c1-13-6-5-12-8-9-3-2-4-10(11)7-9/h2-4,7,12H,5-6,8,11H2,1H3
InChIKeyPOLGTAZFCGJYGH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.00
Rot. Bonds5

About 3-[(2-methoxyethylamino)methyl]aniline

3-[(2-methoxyethylamino)methyl]aniline (PubChem CID 62544468) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound Name3-[(2-methoxyethylamino)methyl]aniline
PubChem CID62544468
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[(2-methoxyethylamino)methyl]aniline
SMILESCOCCNCc1cccc(N)c1
InChIInChI=1S/C10H16N2O/c1-13-6-5-12-8-9-3-2-4-10(11)7-9/h2-4,7,12H,5-6,8,11H2,1H3
InChIKeyPOLGTAZFCGJYGH-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of 3-[(2-methoxyethylamino)methyl]aniline (CID 62544468) is 3-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for 3-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for 3-[(2-methoxyethylamino)methyl]aniline is COCCNCc1cccc(N)c1.
What is the InChIKey of 3-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is POLGTAZFCGJYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-6-5-12-8-9-3-2-4-10(11)7-9/h2-4,7,12H,5-6,8,11H2,1H3.
What are the key properties of 3-[(2-methoxyethylamino)methyl]aniline?
3-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 180.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 62544468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).