1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine

C15H25NO — CID 62040818

IUPAC1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1c(C)cccc1C
InChIInChI=1S/C15H25NO/c1-5-10-16-14(6-2)11-17-15-12(3)8-7-9-13(15)4/h7-9,14,16H,5-6,10-11H2,1-4H3
InChIKeyNIMVUENRFLQRMK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds7

About 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine

1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine (PubChem CID 62040818) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
PubChem CID62040818
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1c(C)cccc1C
InChIInChI=1S/C15H25NO/c1-5-10-16-14(6-2)11-17-15-12(3)8-7-9-13(15)4/h7-9,14,16H,5-6,10-11H2,1-4H3
InChIKeyNIMVUENRFLQRMK-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenoxy)-N-propylbutan-2-amine
CID 81268673
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
CID 62040001
1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475949
1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 63202116
2-[2-(bromomethyl)butoxy]-1,3-dimethylbenzene
CID 64995498
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62039915
1,3-dimethyl-2-propoxybenzene
CID 579040

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine (CID 62040818) is 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine is CCCNC(CC)COc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine?
The InChIKey is NIMVUENRFLQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-10-16-14(6-2)11-17-15-12(3)8-7-9-13(15)4/h7-9,14,16H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine?
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 62040818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).