N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine

C15H23NO — CID 164625540

IUPACN,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
SMILESCN(C)CC[C@@H]1CCC[C@H](c2ccccc2)O1
InChIInChI=1S/C15H23NO/c1-16(2)12-11-14-9-6-10-15(17-14)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyULKYOIBWCPDIQY-LSDHHAIUSA-N
MW233.36 g/mol
LogP3.25
Rot. Bonds4

About N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine

N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine (PubChem CID 164625540) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
PubChem CID164625540
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
SMILESCN(C)CC[C@@H]1CCC[C@H](c2ccccc2)O1
InChIInChI=1S/C15H23NO/c1-16(2)12-11-14-9-6-10-15(17-14)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyULKYOIBWCPDIQY-LSDHHAIUSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine (CID 164625540) is N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine is CN(C)CC[C@@H]1CCC[C@H](c2ccccc2)O1.
What is the InChIKey of N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine?
The InChIKey is ULKYOIBWCPDIQY-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO/c1-16(2)12-11-14-9-6-10-15(17-14)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine?
N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine is sourced from PubChem (CID 164625540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).