(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine

C13H18ClNO — CID 40899638

IUPAC(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)C[C@H](Nc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H18ClNO/c1-13(2)9-12(7-8-16-13)15-11-5-3-10(14)4-6-11/h3-6,12,15H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyUWKHIRCNTHXSEB-GFCCVEGCSA-N
MW239.75 g/mol
LogP3.71
Rot. Bonds2

About (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine

(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine (PubChem CID 40899638) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
PubChem CID40899638
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)C[C@H](Nc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H18ClNO/c1-13(2)9-12(7-8-16-13)15-11-5-3-10(14)4-6-11/h3-6,12,15H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyUWKHIRCNTHXSEB-GFCCVEGCSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine (CID 40899638) is (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine is CC1(C)C[C@H](Nc2ccc(Cl)cc2)CCO1.
What is the InChIKey of (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine?
The InChIKey is UWKHIRCNTHXSEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2)9-12(7-8-16-13)15-11-5-3-10(14)4-6-11/h3-6,12,15H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine?
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 40899638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).