1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine

C16H25NO — CID 143718335

IUPAC1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine
SMILESC=C(N)c1ccc(OC(CCC)CCC)cc1C
InChIInChI=1S/C16H25NO/c1-5-7-14(8-6-2)18-15-9-10-16(13(4)17)12(3)11-15/h9-11,14H,4-8,17H2,1-3H3
InChIKeyPDXZMVDBWHNAAW-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.27
Rot. Bonds7

About 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine

1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine (PubChem CID 143718335) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine.

Molecular Properties

Compound Name1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine
PubChem CID143718335
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine
SMILESC=C(N)c1ccc(OC(CCC)CCC)cc1C
InChIInChI=1S/C16H25NO/c1-5-7-14(8-6-2)18-15-9-10-16(13(4)17)12(3)11-15/h9-11,14H,4-8,17H2,1-3H3
InChIKeyPDXZMVDBWHNAAW-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine?
The IUPAC name of 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine (CID 143718335) is 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine.
What is the SMILES notation for 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine?
The canonical SMILES for 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine is C=C(N)c1ccc(OC(CCC)CCC)cc1C.
What is the InChIKey of 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine?
The InChIKey is PDXZMVDBWHNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-7-14(8-6-2)18-15-9-10-16(13(4)17)12(3)11-15/h9-11,14H,4-8,17H2,1-3H3.
What are the key properties of 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine?
1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine has a molecular weight of 247.38 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine is sourced from PubChem (CID 143718335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).