4-ethyl-1-(3-methylphenoxy)hexan-3-amine

C15H25NO — CID 105168458

IUPAC4-ethyl-1-(3-methylphenoxy)hexan-3-amine
SMILESCCC(CC)C(N)CCOc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-13(5-2)15(16)9-10-17-14-8-6-7-12(3)11-14/h6-8,11,13,15H,4-5,9-10,16H2,1-3H3
InChIKeyOUAHZRFLIBLUHE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds7

About 4-ethyl-1-(3-methylphenoxy)hexan-3-amine

4-ethyl-1-(3-methylphenoxy)hexan-3-amine (PubChem CID 105168458) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethyl-1-(3-methylphenoxy)hexan-3-amine.

Molecular Properties

Compound Name4-ethyl-1-(3-methylphenoxy)hexan-3-amine
PubChem CID105168458
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-ethyl-1-(3-methylphenoxy)hexan-3-amine
SMILESCCC(CC)C(N)CCOc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-13(5-2)15(16)9-10-17-14-8-6-7-12(3)11-14/h6-8,11,13,15H,4-5,9-10,16H2,1-3H3
InChIKeyOUAHZRFLIBLUHE-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
[5-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105298656
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105099504
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methylphenoxy)hexan-3-amine?
The IUPAC name of 4-ethyl-1-(3-methylphenoxy)hexan-3-amine (CID 105168458) is 4-ethyl-1-(3-methylphenoxy)hexan-3-amine.
What is the SMILES notation for 4-ethyl-1-(3-methylphenoxy)hexan-3-amine?
The canonical SMILES for 4-ethyl-1-(3-methylphenoxy)hexan-3-amine is CCC(CC)C(N)CCOc1cccc(C)c1.
What is the InChIKey of 4-ethyl-1-(3-methylphenoxy)hexan-3-amine?
The InChIKey is OUAHZRFLIBLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-13(5-2)15(16)9-10-17-14-8-6-7-12(3)11-14/h6-8,11,13,15H,4-5,9-10,16H2,1-3H3.
What are the key properties of 4-ethyl-1-(3-methylphenoxy)hexan-3-amine?
4-ethyl-1-(3-methylphenoxy)hexan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methylphenoxy)hexan-3-amine is sourced from PubChem (CID 105168458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).