4-(2-aminopropyl)-2,5-dimethoxyaniline

C11H18N2O2 — CID 15284796

IUPAC4-(2-aminopropyl)-2,5-dimethoxyaniline
SMILESCOc1cc(CC(C)N)c(OC)cc1N
InChIInChI=1S/C11H18N2O2/c1-7(12)4-8-5-11(15-3)9(13)6-10(8)14-2/h5-7H,4,12-13H2,1-3H3
InChIKeyYUGDRVMIVMZKEL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.18
Rot. Bonds4

About 4-(2-aminopropyl)-2,5-dimethoxyaniline

4-(2-aminopropyl)-2,5-dimethoxyaniline (PubChem CID 15284796) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2,5-dimethoxyaniline
PubChem CID15284796
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(2-aminopropyl)-2,5-dimethoxyaniline
SMILESCOc1cc(CC(C)N)c(OC)cc1N
InChIInChI=1S/C11H18N2O2/c1-7(12)4-8-5-11(15-3)9(13)6-10(8)14-2/h5-7H,4,12-13H2,1-3H3
InChIKeyYUGDRVMIVMZKEL-UHFFFAOYSA-N
XLogP1.18
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2,5-dimethoxyaniline?
The IUPAC name of 4-(2-aminopropyl)-2,5-dimethoxyaniline (CID 15284796) is 4-(2-aminopropyl)-2,5-dimethoxyaniline.
What is the SMILES notation for 4-(2-aminopropyl)-2,5-dimethoxyaniline?
The canonical SMILES for 4-(2-aminopropyl)-2,5-dimethoxyaniline is COc1cc(CC(C)N)c(OC)cc1N.
What is the InChIKey of 4-(2-aminopropyl)-2,5-dimethoxyaniline?
The InChIKey is YUGDRVMIVMZKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(12)4-8-5-11(15-3)9(13)6-10(8)14-2/h5-7H,4,12-13H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-2,5-dimethoxyaniline?
4-(2-aminopropyl)-2,5-dimethoxyaniline has a molecular weight of 210.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2,5-dimethoxyaniline is sourced from PubChem (CID 15284796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).