ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen

C15H31NO — CID 170739298

IUPACethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
SMILESC=C.CC.CC.Cc1cccc(OCCN)c1.[H][H]
InChIInChI=1S/C9H13NO.2C2H6.C2H4.H2/c1-8-3-2-4-9(7-8)11-6-5-10;3*1-2;/h2-4,7H,5-6,10H2,1H3;2*1-2H3;1-2H2;1H
InChIKeyVBWIMPNKYOKIKP-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.43
Rot. Bonds3

About ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen

ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen (PubChem CID 170739298) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
PubChem CID170739298
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
SMILESC=C.CC.CC.Cc1cccc(OCCN)c1.[H][H]
InChIInChI=1S/C9H13NO.2C2H6.C2H4.H2/c1-8-3-2-4-9(7-8)11-6-5-10;3*1-2;/h2-4,7H,5-6,10H2,1H3;2*1-2H3;1-2H2;1H
InChIKeyVBWIMPNKYOKIKP-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-methyl-3-pentadecoxybenzene
CID 154641822
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761
1-hexadecoxy-3-methylbenzene
CID 154641790
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
trimethyl-[2-(3-methylphenoxy)ethyl]azanium iodide
CID 160571786
3-(3-methylphenoxy)propanethioamide
CID 7745599
N-ethylmethanimine;1-methyl-3-propoxybenzene
CID 157286038

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen?
The IUPAC name of ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen (CID 170739298) is ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen.
What is the SMILES notation for ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen?
The canonical SMILES for ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen is C=C.CC.CC.Cc1cccc(OCCN)c1.[H][H].
What is the InChIKey of ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen?
The InChIKey is VBWIMPNKYOKIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.2C2H6.C2H4.H2/c1-8-3-2-4-9(7-8)11-6-5-10;3*1-2;/h2-4,7H,5-6,10H2,1H3;2*1-2H3;1-2H2;1H.
What are the key properties of ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen?
ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen has a molecular weight of 241.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen is sourced from PubChem (CID 170739298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).