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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Related Compounds

2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
CID 82725548
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
CID 104583725
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine
CID 103907162
1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
CID 43098203
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine
CID 103907272
(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine
CID 98856115
N-(1-cyclobutylethyl)-2-methyloxan-4-amine
CID 115897450
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208
2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
CID 115898487
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
CID 103907180

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).