(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride

C11H18Cl2N2 — CID 158480549

IUPAC(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride
SMILESCCN[C@@H](C)CCc1ccc(Cl)cn1.Cl
InChIInChI=1S/C11H17ClN2.ClH/c1-3-13-9(2)4-6-11-7-5-10(12)8-14-11;/h5,7-9,13H,3-4,6H2,1-2H3;1H/t9-;/m0./s1
InChIKeyWFPJBYWCYZEMOK-FVGYRXGTSA-N
MW249.18 g/mol
LogP3.09
Rot. Bonds5

About (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride

(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride (PubChem CID 158480549) has the molecular formula C11H18Cl2N2 and a molecular weight of 249.18 g/mol. Its IUPAC name is (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride
PubChem CID158480549
Molecular FormulaC11H18Cl2N2
Molecular Weight249.18 g/mol
Exact Mass248.08
IUPAC Name(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride
SMILESCCN[C@@H](C)CCc1ccc(Cl)cn1.Cl
InChIInChI=1S/C11H17ClN2.ClH/c1-3-13-9(2)4-6-11-7-5-10(12)8-14-11;/h5,7-9,13H,3-4,6H2,1-2H3;1H/t9-;/m0./s1
InChIKeyWFPJBYWCYZEMOK-FVGYRXGTSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Hexylpyridine
CID 70797
Betahistine Hydrochloride
CID 68643
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
3-Chloropyridin-4-amine
CID 581853
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
5-Amino-2-chloropyridine
CID 79305
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
1',2',3',6'-Tetrahydro-2,4'-bipyridine
CID 15166842
5-(6-Chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene
CID 4694339
2-(Pyrrolidin-2-yl)pyridine
CID 2771659

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride?
The IUPAC name of (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride (CID 158480549) is (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride?
The canonical SMILES for (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride is CCN[C@@H](C)CCc1ccc(Cl)cn1.Cl.
What is the InChIKey of (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride?
The InChIKey is WFPJBYWCYZEMOK-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H17ClN2.ClH/c1-3-13-9(2)4-6-11-7-5-10(12)8-14-11;/h5,7-9,13H,3-4,6H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride?
(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride has a molecular weight of 249.18 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride is sourced from PubChem (CID 158480549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).