6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine

C19H31NO — CID 79836581

IUPAC6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(Oc2cc(C)ccc2C)CCCC1(C)C
InChIInChI=1S/C19H31NO/c1-6-12-20-18-16(8-7-11-19(18,4)5)21-17-13-14(2)9-10-15(17)3/h9-10,13,16,18,20H,6-8,11-12H2,1-5H3
InChIKeyOWJSORNFYLFYPZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.63
Rot. Bonds5

About 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine

6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 79836581) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID79836581
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(Oc2cc(C)ccc2C)CCCC1(C)C
InChIInChI=1S/C19H31NO/c1-6-12-20-18-16(8-7-11-19(18,4)5)21-17-13-14(2)9-10-15(17)3/h9-10,13,16,18,20H,6-8,11-12H2,1-5H3
InChIKeyOWJSORNFYLFYPZ-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 79836581) is 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(Oc2cc(C)ccc2C)CCCC1(C)C.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is OWJSORNFYLFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-12-20-18-16(8-7-11-19(18,4)5)21-17-13-14(2)9-10-15(17)3/h9-10,13,16,18,20H,6-8,11-12H2,1-5H3.
What are the key properties of 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79836581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).