[4-(prop-2-enoxymethyl)phenyl]methanamine

C11H15NO — CID 62442288

IUPAC[4-(prop-2-enoxymethyl)phenyl]methanamine
SMILESC=CCOCc1ccc(CN)cc1
InChIInChI=1S/C11H15NO/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h2-6H,1,7-9,12H2
InChIKeySQKNNIGZCNSDIO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.85
Rot. Bonds5

About [4-(prop-2-enoxymethyl)phenyl]methanamine

[4-(prop-2-enoxymethyl)phenyl]methanamine (PubChem CID 62442288) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [4-(prop-2-enoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(prop-2-enoxymethyl)phenyl]methanamine
PubChem CID62442288
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[4-(prop-2-enoxymethyl)phenyl]methanamine
SMILESC=CCOCc1ccc(CN)cc1
InChIInChI=1S/C11H15NO/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h2-6H,1,7-9,12H2
InChIKeySQKNNIGZCNSDIO-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-[[4-(prop-2-enoxymethyl)phenyl]methoxy]propanenitrile
CID 10988591
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
1-(2-methylbutyl)-4-(prop-2-enoxymethyl)benzene
CID 21058844
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
2-[4-(but-3-enoxymethyl)phenyl]ethanamine
CID 105348936
prop-2-enyl 3-(prop-2-enoxymethyl)benzoate
CID 167216465
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
4-[6-[6-[6-[4-(prop-2-enoxymethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzaldehyde
CID 11730579
2-chloro-6-(prop-2-enoxymethyl)pyridine
CID 79243587
4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine
CID 102298376
1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene
CID 54289463

Frequently Asked Questions

What is the IUPAC name of [4-(prop-2-enoxymethyl)phenyl]methanamine?
The IUPAC name of [4-(prop-2-enoxymethyl)phenyl]methanamine (CID 62442288) is [4-(prop-2-enoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-(prop-2-enoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-(prop-2-enoxymethyl)phenyl]methanamine is C=CCOCc1ccc(CN)cc1.
What is the InChIKey of [4-(prop-2-enoxymethyl)phenyl]methanamine?
The InChIKey is SQKNNIGZCNSDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h2-6H,1,7-9,12H2.
What are the key properties of [4-(prop-2-enoxymethyl)phenyl]methanamine?
[4-(prop-2-enoxymethyl)phenyl]methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(prop-2-enoxymethyl)phenyl]methanamine is sourced from PubChem (CID 62442288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).