2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine

C16H25NO — CID 64752568

IUPAC2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(OC2C(C)CC(C)CC2N)c(C)c1
InChIInChI=1S/C16H25NO/c1-10-5-6-15(12(3)7-10)18-16-13(4)8-11(2)9-14(16)17/h5-7,11,13-14,16H,8-9,17H2,1-4H3
InChIKeyNTQWDKRTLGKGIU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.44
Rot. Bonds2

About 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine

2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64752568) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine
PubChem CID64752568
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(OC2C(C)CC(C)CC2N)c(C)c1
InChIInChI=1S/C16H25NO/c1-10-5-6-15(12(3)7-10)18-16-13(4)8-11(2)9-14(16)17/h5-7,11,13-14,16H,8-9,17H2,1-4H3
InChIKeyNTQWDKRTLGKGIU-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine (CID 64752568) is 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine is Cc1ccc(OC2C(C)CC(C)CC2N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is NTQWDKRTLGKGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-5-6-15(12(3)7-10)18-16-13(4)8-11(2)9-14(16)17/h5-7,11,13-14,16H,8-9,17H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine?
2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64752568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).