2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine

C15H23NO — CID 2877762

IUPAC2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine
SMILESCC1(C)CC(CCN)(c2ccccc2)CCO1
InChIInChI=1S/C15H23NO/c1-14(2)12-15(8-10-16,9-11-17-14)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyYZLPLFKCBAIVRZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.86
Rot. Bonds3

About 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine

2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine (PubChem CID 2877762) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine
PubChem CID2877762
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine
SMILESCC1(C)CC(CCN)(c2ccccc2)CCO1
InChIInChI=1S/C15H23NO/c1-14(2)12-15(8-10-16,9-11-17-14)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyYZLPLFKCBAIVRZ-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine?
The IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine (CID 2877762) is 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine?
The canonical SMILES for 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine is CC1(C)CC(CCN)(c2ccccc2)CCO1.
What is the InChIKey of 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine?
The InChIKey is YZLPLFKCBAIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2)12-15(8-10-16,9-11-17-14)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine?
2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine is sourced from PubChem (CID 2877762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).