(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine

C12H15Cl2NO — CID 131424758

IUPAC(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1cc(Cl)cc(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15Cl2NO/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8,12H,1-4,15H2/t12-/m1/s1
InChIKeyHEDHXTIORKQNGK-GFCCVEGCSA-N
MW260.16 g/mol
LogP3.42
Rot. Bonds2

About (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine

(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine (PubChem CID 131424758) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
PubChem CID131424758
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1cc(Cl)cc(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15Cl2NO/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8,12H,1-4,15H2/t12-/m1/s1
InChIKeyHEDHXTIORKQNGK-GFCCVEGCSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-chloro-5-fluorophenyl)-(oxan-4-yl)methanamine
CID 131582090
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol;hydrochloride
CID 171246230
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
(R)-oxan-4-yl-(2,3,5-trichlorophenyl)methanamine
CID 171251001
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483

Frequently Asked Questions

What is the IUPAC name of (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine (CID 131424758) is (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine is N[C@@H](c1cc(Cl)cc(Cl)c1)C1CCOCC1.
What is the InChIKey of (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine?
The InChIKey is HEDHXTIORKQNGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8,12H,1-4,15H2/t12-/m1/s1.
What are the key properties of (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine?
(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131424758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).