2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine

C16H27NO — CID 83044144

IUPAC2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-6-7-15(11-17-12(2)3)18-16-9-13(4)8-14(5)10-16/h8-10,12,15,17H,6-7,11H2,1-5H3
InChIKeySSUZYFHCJPAWCM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.85
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine

2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 83044144) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID83044144
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-6-7-15(11-17-12(2)3)18-16-9-13(4)8-14(5)10-16/h8-10,12,15,17H,6-7,11H2,1-5H3
InChIKeySSUZYFHCJPAWCM-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55194499
2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
CID 83044360
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
2-(3,5-dimethylphenoxy)propylhydrazine
CID 82281841
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine (CID 83044144) is 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Oc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is SSUZYFHCJPAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-7-15(11-17-12(2)3)18-16-9-13(4)8-14(5)10-16/h8-10,12,15,17H,6-7,11H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine?
2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83044144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).