(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride

C11H16Cl2N2O — CID 171239096

IUPAC(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccncc1Cl)C1CCOCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-7-14-4-1-9(10)11(13)8-2-5-15-6-3-8;/h1,4,7-8,11H,2-3,5-6,13H2;1H/t11-;/m0./s1
InChIKeySDQNPYXNVHWVKS-MERQFXBCSA-N
MW263.17 g/mol
LogP2.58
Rot. Bonds2

About (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride

(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171239096) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171239096
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccncc1Cl)C1CCOCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-7-14-4-1-9(10)11(13)8-2-5-15-6-3-8;/h1,4,7-8,11H,2-3,5-6,13H2;1H/t11-;/m0./s1
InChIKeySDQNPYXNVHWVKS-MERQFXBCSA-N
XLogP2.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
CID 171218361
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
(R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171245874
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
2-[(S)-amino(oxan-4-yl)methyl]-4-chloroaniline;hydrochloride
CID 171244368
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride (CID 171239096) is (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@H](c1ccncc1Cl)C1CCOCC1.
What is the InChIKey of (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is SDQNPYXNVHWVKS-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c12-10-7-14-4-1-9(10)11(13)8-2-5-15-6-3-8;/h1,4,7-8,11H,2-3,5-6,13H2;1H/t11-;/m0./s1.
What are the key properties of (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171239096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).