5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine

C16H25NO — CID 79860197

IUPAC5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(Oc2cc(C)ccc2C)CCC1(C)C
InChIInChI=1S/C16H25NO/c1-11-6-7-12(2)14(10-11)18-13-8-9-16(3,4)15(13)17-5/h6-7,10,13,15,17H,8-9H2,1-5H3
InChIKeySKLFIVSFUMCDDT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds3

About 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine

5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79860197) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79860197
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(Oc2cc(C)ccc2C)CCC1(C)C
InChIInChI=1S/C16H25NO/c1-11-6-7-12(2)14(10-11)18-13-8-9-16(3,4)15(13)17-5/h6-7,10,13,15,17H,8-9H2,1-5H3
InChIKeySKLFIVSFUMCDDT-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol
CID 79857169
6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79836411
6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 102980961
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79857312
5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79859640
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
2-(2,5-dimethylphenoxy)cyclohexan-1-amine
CID 43184593
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine (CID 79860197) is 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine is CNC1C(Oc2cc(C)ccc2C)CCC1(C)C.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is SKLFIVSFUMCDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-7-12(2)14(10-11)18-13-8-9-16(3,4)15(13)17-5/h6-7,10,13,15,17H,8-9H2,1-5H3.
What are the key properties of 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine?
5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79860197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).