1-quinolin-4-ylethanamine;dihydrochloride

C11H14Cl2N2 — CID 69169049

IUPAC1-quinolin-4-ylethanamine;dihydrochloride
SMILESCC(N)c1ccnc2ccccc12.Cl.Cl
InChIInChI=1S/C11H12N2.2ClH/c1-8(12)9-6-7-13-11-5-3-2-4-10(9)11;;/h2-8H,12H2,1H3;2*1H
InChIKeyJSOUOXXNRIHZIQ-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.10
Rot. Bonds1

About 1-quinolin-4-ylethanamine;dihydrochloride

1-quinolin-4-ylethanamine;dihydrochloride (PubChem CID 69169049) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-quinolin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name1-quinolin-4-ylethanamine;dihydrochloride
PubChem CID69169049
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-quinolin-4-ylethanamine;dihydrochloride
SMILESCC(N)c1ccnc2ccccc12.Cl.Cl
InChIInChI=1S/C11H12N2.2ClH/c1-8(12)9-6-7-13-11-5-3-2-4-10(9)11;;/h2-8H,12H2,1H3;2*1H
InChIKeyJSOUOXXNRIHZIQ-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-quinolin-5-ylethanamine
CID 55277010
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
CID 160608048
CID 160608048
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171314041
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
2-quinolin-4-ylpropanal
CID 54154941
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
2-quinolin-4-ylpropanoic acid
CID 127018626

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-4-ylethanamine;dihydrochloride?
The IUPAC name of 1-quinolin-4-ylethanamine;dihydrochloride (CID 69169049) is 1-quinolin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for 1-quinolin-4-ylethanamine;dihydrochloride?
The canonical SMILES for 1-quinolin-4-ylethanamine;dihydrochloride is CC(N)c1ccnc2ccccc12.Cl.Cl.
What is the InChIKey of 1-quinolin-4-ylethanamine;dihydrochloride?
The InChIKey is JSOUOXXNRIHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.2ClH/c1-8(12)9-6-7-13-11-5-3-2-4-10(9)11;;/h2-8H,12H2,1H3;2*1H.
What are the key properties of 1-quinolin-4-ylethanamine;dihydrochloride?
1-quinolin-4-ylethanamine;dihydrochloride has a molecular weight of 245.15 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 69169049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).