4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline

C16H28N2O2 — CID 63817248

IUPAC4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCCN(c1ccc(CC(C)N)cc1)C(C)COC
InChIInChI=1S/C16H28N2O2/c1-13(17)11-15-5-7-16(8-6-15)18(9-10-19-3)14(2)12-20-4/h5-8,13-14H,9-12,17H2,1-4H3
InChIKeyJEZLNEJWVQISGM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.06
Rot. Bonds9

About 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline

4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline (PubChem CID 63817248) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
PubChem CID63817248
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
SMILESCOCCN(c1ccc(CC(C)N)cc1)C(C)COC
InChIInChI=1S/C16H28N2O2/c1-13(17)11-15-5-7-16(8-6-15)18(9-10-19-3)14(2)12-20-4/h5-8,13-14H,9-12,17H2,1-4H3
InChIKeyJEZLNEJWVQISGM-UHFFFAOYSA-N
XLogP2.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline (CID 63817248) is 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline is COCCN(c1ccc(CC(C)N)cc1)C(C)COC.
What is the InChIKey of 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is JEZLNEJWVQISGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(17)11-15-5-7-16(8-6-15)18(9-10-19-3)14(2)12-20-4/h5-8,13-14H,9-12,17H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline?
4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 280.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 63817248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).