4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline

C15H24N2O — CID 63783781

IUPAC4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCN(CC1CCOCC1)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O/c1-17(12-14-7-10-18-11-8-14)15-4-2-13(3-5-15)6-9-16/h2-5,14H,6-12,16H2,1H3
InChIKeyGOMCAWNOTSONIR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds5

About 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline

4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline (PubChem CID 63783781) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
PubChem CID63783781
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCN(CC1CCOCC1)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O/c1-17(12-14-7-10-18-11-8-14)15-4-2-13(3-5-15)6-9-16/h2-5,14H,6-12,16H2,1H3
InChIKeyGOMCAWNOTSONIR-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline (CID 63783781) is 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline is CN(CC1CCOCC1)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is GOMCAWNOTSONIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(12-14-7-10-18-11-8-14)15-4-2-13(3-5-15)6-9-16/h2-5,14H,6-12,16H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline?
4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 63783781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).