(R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride

C11H16Cl2N2O — CID 171245874

IUPAC(R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccnc1Cl)C1CCOCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-11-9(2-1-5-14-11)10(13)8-3-6-15-7-4-8;/h1-2,5,8,10H,3-4,6-7,13H2;1H/t10-;/m1./s1
InChIKeyMCPPPENICZGSAF-HNCPQSOCSA-N
MW263.17 g/mol
LogP2.58
Rot. Bonds2

About (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride

(R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171245874) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171245874
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name(R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccnc1Cl)C1CCOCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-11-9(2-1-5-14-11)10(13)8-3-6-15-7-4-8;/h1-2,5,8,10H,3-4,6-7,13H2;1H/t10-;/m1./s1
InChIKeyMCPPPENICZGSAF-HNCPQSOCSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(R)-(2-chloro-3-pyridinyl)-cyclobutylmethanamine
CID 131061254
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
2-[(S)-amino(oxan-4-yl)methyl]-4-chloroaniline;hydrochloride
CID 171244368
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
2-[(R)-amino(oxan-4-yl)methyl]-6-bromophenol;hydrochloride
CID 171247310

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride (CID 171245874) is (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@@H](c1cccnc1Cl)C1CCOCC1.
What is the InChIKey of (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is MCPPPENICZGSAF-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c12-11-9(2-1-5-14-11)10(13)8-3-6-15-7-4-8;/h1-2,5,8,10H,3-4,6-7,13H2;1H/t10-;/m1./s1.
What are the key properties of (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
(R)-(2-chloro-3-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 (R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171245874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).