(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride

C12H16Cl3NO — CID 171250540

IUPAC(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C12H15Cl2NO.ClH/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12H,3-6,15H2;1H/t12-;/m1./s1
InChIKeyZTBPTKGTYJCYHC-UTONKHPSSA-N
MW296.62 g/mol
LogP3.84
Rot. Bonds2

About (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride

(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171250540) has the molecular formula C12H16Cl3NO and a molecular weight of 296.62 g/mol. Its IUPAC name is (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171250540
Molecular FormulaC12H16Cl3NO
Molecular Weight296.62 g/mol
Exact Mass295.03
IUPAC Name(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C12H15Cl2NO.ClH/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12H,3-6,15H2;1H/t12-;/m1./s1
InChIKeyZTBPTKGTYJCYHC-UTONKHPSSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
(S)-(2-bromo-4-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257336
2-[(S)-amino(oxan-4-yl)methyl]-4-chloroaniline;hydrochloride
CID 171244368
(R)-(2-bromo-5-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247641
(R)-oxan-4-yl-(2,3,5-trichlorophenyl)methanamine
CID 171251001
2-[(S)-amino(oxan-4-yl)methyl]-4,6-dichlorophenol
CID 171238699
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262

Frequently Asked Questions

What is the IUPAC name of (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride (CID 171250540) is (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)cc1Cl)C1CCOCC1.
What is the InChIKey of (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is ZTBPTKGTYJCYHC-UTONKHPSSA-N. The full InChI is InChI=1S/C12H15Cl2NO.ClH/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12H,3-6,15H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride?
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 296.62 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171250540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).