(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride

C12H15ClN2 — CID 171236618

IUPAC(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccnc2ccccc12.Cl
InChIInChI=1S/C12H14N2.ClH/c1-2-11(13)9-7-8-14-12-6-4-3-5-10(9)12;/h3-8,11H,2,13H2,1H3;1H/t11-;/m0./s1
InChIKeyXNUYHUUWQARYHN-MERQFXBCSA-N
MW222.72 g/mol
LogP3.07
Rot. Bonds2

About (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride

(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride (PubChem CID 171236618) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
PubChem CID171236618
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccnc2ccccc12.Cl
InChIInChI=1S/C12H14N2.ClH/c1-2-11(13)9-7-8-14-12-6-4-3-5-10(9)12;/h3-8,11H,2,13H2,1H3;1H/t11-;/m0./s1
InChIKeyXNUYHUUWQARYHN-MERQFXBCSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171314041
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(4-ethylphenyl)-quinolin-4-ylmethanamine
CID 105121771
3-quinolin-4-ylpentan-2-one
CID 63196425
CID 160608048
CID 160608048
(4-propylphenyl)-quinolin-4-ylmethanamine
CID 105144415

Frequently Asked Questions

What is the IUPAC name of (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride (CID 171236618) is (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride is CC[C@H](N)c1ccnc2ccccc12.Cl.
What is the InChIKey of (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride?
The InChIKey is XNUYHUUWQARYHN-MERQFXBCSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-2-11(13)9-7-8-14-12-6-4-3-5-10(9)12;/h3-8,11H,2,13H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride?
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171236618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).