[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine

C17H27NO — CID 43428941

IUPAC[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
SMILESCc1ccc(C)c(OC2CC(C)CCC2CN)c1C
InChIInChI=1S/C17H27NO/c1-11-5-8-15(10-18)16(9-11)19-17-13(3)7-6-12(2)14(17)4/h6-7,11,15-16H,5,8-10,18H2,1-4H3
InChIKeyVJWVSQFMKZTXHB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds3

About [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine

[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine (PubChem CID 43428941) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
PubChem CID43428941
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
SMILESCc1ccc(C)c(OC2CC(C)CCC2CN)c1C
InChIInChI=1S/C17H27NO/c1-11-5-8-15(10-18)16(9-11)19-17-13(3)7-6-12(2)14(17)4/h6-7,11,15-16H,5,8-10,18H2,1-4H3
InChIKeyVJWVSQFMKZTXHB-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine (CID 43428941) is [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine is Cc1ccc(C)c(OC2CC(C)CCC2CN)c1C.
What is the InChIKey of [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
The InChIKey is VJWVSQFMKZTXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-5-8-15(10-18)16(9-11)19-17-13(3)7-6-12(2)14(17)4/h6-7,11,15-16H,5,8-10,18H2,1-4H3.
What are the key properties of [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).