N-[(2-prop-2-enoxyphenyl)methyl]ethanamine

C12H17NO — CID 11988163

IUPACN-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CNCC
InChIInChI=1S/C12H17NO/c1-3-9-14-12-8-6-5-7-11(12)10-13-4-2/h3,5-8,13H,1,4,9-10H2,2H3
InChIKeyLZCOKEQOUABIRT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.36
Rot. Bonds6

About N-[(2-prop-2-enoxyphenyl)methyl]ethanamine

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 11988163) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID11988163
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CNCC
InChIInChI=1S/C12H17NO/c1-3-9-14-12-8-6-5-7-11(12)10-13-4-2/h3,5-8,13H,1,4,9-10H2,2H3
InChIKeyLZCOKEQOUABIRT-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.36
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

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2,2-diethoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 78910495
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-ethyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 103702186
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (CID 11988163) is N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccccc1CNCC.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is LZCOKEQOUABIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-9-14-12-8-6-5-7-11(12)10-13-4-2/h3,5-8,13H,1,4,9-10H2,2H3.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 11988163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).