2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine

C17H27NO — CID 103907210

IUPAC2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine
SMILESCc1cc(C)c(C(C)NC2CCOC(C)C2)cc1C
InChIInChI=1S/C17H27NO/c1-11-8-13(3)17(9-12(11)2)15(5)18-16-6-7-19-14(4)10-16/h8-9,14-16,18H,6-7,10H2,1-5H3
InChIKeyXPTRTEIRADXRKL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine

2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine (PubChem CID 103907210) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine
PubChem CID103907210
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine
SMILESCc1cc(C)c(C(C)NC2CCOC(C)C2)cc1C
InChIInChI=1S/C17H27NO/c1-11-8-13(3)17(9-12(11)2)15(5)18-16-6-7-19-14(4)10-16/h8-9,14-16,18H,6-7,10H2,1-5H3
InChIKeyXPTRTEIRADXRKL-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine (CID 103907210) is 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine is Cc1cc(C)c(C(C)NC2CCOC(C)C2)cc1C.
What is the InChIKey of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine?
The InChIKey is XPTRTEIRADXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-8-13(3)17(9-12(11)2)15(5)18-16-6-7-19-14(4)10-16/h8-9,14-16,18H,6-7,10H2,1-5H3.
What are the key properties of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine?
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 103907210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).