4-(2-aminopropyl)-N-ethylaniline;dihydrochloride

C11H20Cl2N2 — CID 3043607

IUPAC4-(2-aminopropyl)-N-ethylaniline;dihydrochloride
SMILESCCNc1ccc(CC(C)N)cc1.Cl.Cl
InChIInChI=1S/C11H18N2.2ClH/c1-3-13-11-6-4-10(5-7-11)8-9(2)12;;/h4-7,9,13H,3,8,12H2,1-2H3;2*1H
InChIKeyGQYQBPYWZHMWGZ-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.85
Rot. Bonds4

About 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride

4-(2-aminopropyl)-N-ethylaniline;dihydrochloride (PubChem CID 3043607) has the molecular formula C11H20Cl2N2 and a molecular weight of 251.20 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-ethylaniline;dihydrochloride
PubChem CID3043607
Molecular FormulaC11H20Cl2N2
Molecular Weight251.20 g/mol
Exact Mass250.10
IUPAC Name4-(2-aminopropyl)-N-ethylaniline;dihydrochloride
SMILESCCNc1ccc(CC(C)N)cc1.Cl.Cl
InChIInChI=1S/C11H18N2.2ClH/c1-3-13-11-6-4-10(5-7-11)8-9(2)12;;/h4-7,9,13H,3,8,12H2,1-2H3;2*1H
InChIKeyGQYQBPYWZHMWGZ-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride?
The IUPAC name of 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride (CID 3043607) is 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride is CCNc1ccc(CC(C)N)cc1.Cl.Cl.
What is the InChIKey of 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride?
The InChIKey is GQYQBPYWZHMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.2ClH/c1-3-13-11-6-4-10(5-7-11)8-9(2)12;;/h4-7,9,13H,3,8,12H2,1-2H3;2*1H.
What are the key properties of 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride?
4-(2-aminopropyl)-N-ethylaniline;dihydrochloride has a molecular weight of 251.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-ethylaniline;dihydrochloride is sourced from PubChem (CID 3043607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).