4-(2-aminopropyl)aniline;dihydrochloride

C9H16Cl2N2 — CID 3049429

IUPAC4-(2-aminopropyl)aniline;dihydrochloride
SMILESCC(N)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-7(10)6-8-2-4-9(11)5-3-8;;/h2-5,7H,6,10-11H2,1H3;2*1H
InChIKeyHUXFGZATDSLLQB-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.00
Rot. Bonds2

About 4-(2-aminopropyl)aniline;dihydrochloride

4-(2-aminopropyl)aniline;dihydrochloride (PubChem CID 3049429) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-(2-aminopropyl)aniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)aniline;dihydrochloride
PubChem CID3049429
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name4-(2-aminopropyl)aniline;dihydrochloride
SMILESCC(N)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-7(10)6-8-2-4-9(11)5-3-8;;/h2-5,7H,6,10-11H2,1H3;2*1H
InChIKeyHUXFGZATDSLLQB-UHFFFAOYSA-N
XLogP2.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)aniline;dihydrochloride?
The IUPAC name of 4-(2-aminopropyl)aniline;dihydrochloride (CID 3049429) is 4-(2-aminopropyl)aniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)aniline;dihydrochloride?
The canonical SMILES for 4-(2-aminopropyl)aniline;dihydrochloride is CC(N)Cc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 4-(2-aminopropyl)aniline;dihydrochloride?
The InChIKey is HUXFGZATDSLLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-7(10)6-8-2-4-9(11)5-3-8;;/h2-5,7H,6,10-11H2,1H3;2*1H.
What are the key properties of 4-(2-aminopropyl)aniline;dihydrochloride?
4-(2-aminopropyl)aniline;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)aniline;dihydrochloride is sourced from PubChem (CID 3049429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).