2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine

C17H27NO — CID 3132829

IUPAC2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine
SMILESCCC1(C)CC(CCN)(c2ccc(C)cc2)CCO1
InChIInChI=1S/C17H27NO/c1-4-16(3)13-17(9-11-18,10-12-19-16)15-7-5-14(2)6-8-15/h5-8H,4,9-13,18H2,1-3H3
InChIKeyLSXKXJPDFZUXNV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds4

About 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine

2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine (PubChem CID 3132829) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine
PubChem CID3132829
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine
SMILESCCC1(C)CC(CCN)(c2ccc(C)cc2)CCO1
InChIInChI=1S/C17H27NO/c1-4-16(3)13-17(9-11-18,10-12-19-16)15-7-5-14(2)6-8-15/h5-8H,4,9-13,18H2,1-3H3
InChIKeyLSXKXJPDFZUXNV-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine?
The IUPAC name of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine (CID 3132829) is 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine?
The canonical SMILES for 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine is CCC1(C)CC(CCN)(c2ccc(C)cc2)CCO1.
What is the InChIKey of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine?
The InChIKey is LSXKXJPDFZUXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-16(3)13-17(9-11-18,10-12-19-16)15-7-5-14(2)6-8-15/h5-8H,4,9-13,18H2,1-3H3.
What are the key properties of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine?
2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethanamine is sourced from PubChem (CID 3132829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).