4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine

C16H29NO — CID 143062754

IUPAC4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine
SMILESCCCC(CC)Oc1ccc(CC)cc1C.CN
InChIInChI=1S/C15H24O.CH5N/c1-5-8-14(7-3)16-15-10-9-13(6-2)11-12(15)4;1-2/h9-11,14H,5-8H2,1-4H3;2H2,1H3
InChIKeyGMOFIFPCPZYIRX-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.09
Rot. Bonds6

About 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine

4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine (PubChem CID 143062754) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine.

Molecular Properties

Compound Name4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine
PubChem CID143062754
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine
SMILESCCCC(CC)Oc1ccc(CC)cc1C.CN
InChIInChI=1S/C15H24O.CH5N/c1-5-8-14(7-3)16-15-10-9-13(6-2)11-12(15)4;1-2/h9-11,14H,5-8H2,1-4H3;2H2,1H3
InChIKeyGMOFIFPCPZYIRX-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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5-Apdb
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine?
The IUPAC name of 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine (CID 143062754) is 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine.
What is the SMILES notation for 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine?
The canonical SMILES for 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine is CCCC(CC)Oc1ccc(CC)cc1C.CN.
What is the InChIKey of 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine?
The InChIKey is GMOFIFPCPZYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.CH5N/c1-5-8-14(7-3)16-15-10-9-13(6-2)11-12(15)4;1-2/h9-11,14H,5-8H2,1-4H3;2H2,1H3.
What are the key properties of 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine?
4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine has a molecular weight of 251.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hexan-3-yloxy-2-methylbenzene;methanamine is sourced from PubChem (CID 143062754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).