[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine

C17H27NO — CID 43293889

IUPAC[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2cccc(C)c2C)C1
InChIInChI=1S/C17H27NO/c1-4-14-8-9-15(11-18)17(10-14)19-16-7-5-6-12(2)13(16)3/h5-7,14-15,17H,4,8-11,18H2,1-3H3
InChIKeyCDVLSEZHTHREOK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.84
Rot. Bonds4

About [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine

[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine (PubChem CID 43293889) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
PubChem CID43293889
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2cccc(C)c2C)C1
InChIInChI=1S/C17H27NO/c1-4-14-8-9-15(11-18)17(10-14)19-16-7-5-6-12(2)13(16)3/h5-7,14-15,17H,4,8-11,18H2,1-3H3
InChIKeyCDVLSEZHTHREOK-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine (CID 43293889) is [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(Oc2cccc(C)c2C)C1.
What is the InChIKey of [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine?
The InChIKey is CDVLSEZHTHREOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-8-9-15(11-18)17(10-14)19-16-7-5-6-12(2)13(16)3/h5-7,14-15,17H,4,8-11,18H2,1-3H3.
What are the key properties of [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine?
[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 43293889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).