ethene;(2-methylphenoxy)methanamine

C10H15NO — CID 174405951

IUPACethene;(2-methylphenoxy)methanamine
SMILESC=C.Cc1ccccc1OCN
InChIInChI=1S/C8H11NO.C2H4/c1-7-4-2-3-5-8(7)10-6-9;1-2/h2-5H,6,9H2,1H3;1-2H2
InChIKeyIJNLLOKPBUGVRW-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds2

About ethene;(2-methylphenoxy)methanamine

ethene;(2-methylphenoxy)methanamine (PubChem CID 174405951) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethene;(2-methylphenoxy)methanamine.

Molecular Properties

Compound Nameethene;(2-methylphenoxy)methanamine
PubChem CID174405951
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethene;(2-methylphenoxy)methanamine
SMILESC=C.Cc1ccccc1OCN
InChIInChI=1S/C8H11NO.C2H4/c1-7-4-2-3-5-8(7)10-6-9;1-2/h2-5H,6,9H2,1H3;1-2H2
InChIKeyIJNLLOKPBUGVRW-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-methylphenoxy)but-2-en-2-amine
CID 167112053
2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
CID 112547316
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
3-methyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242351
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
(2,5-dimethylphenoxy)methanamine
CID 89376053
methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
CID 162159087
3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242353
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998

Frequently Asked Questions

What is the IUPAC name of ethene;(2-methylphenoxy)methanamine?
The IUPAC name of ethene;(2-methylphenoxy)methanamine (CID 174405951) is ethene;(2-methylphenoxy)methanamine.
What is the SMILES notation for ethene;(2-methylphenoxy)methanamine?
The canonical SMILES for ethene;(2-methylphenoxy)methanamine is C=C.Cc1ccccc1OCN.
What is the InChIKey of ethene;(2-methylphenoxy)methanamine?
The InChIKey is IJNLLOKPBUGVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H4/c1-7-4-2-3-5-8(7)10-6-9;1-2/h2-5H,6,9H2,1H3;1-2H2.
What are the key properties of ethene;(2-methylphenoxy)methanamine?
ethene;(2-methylphenoxy)methanamine has a molecular weight of 165.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2-methylphenoxy)methanamine is sourced from PubChem (CID 174405951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).