[4-(2-methylprop-2-enoxy)phenyl]methanamine

C11H15NO — CID 54793590

IUPAC[4-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1ccc(CN)cc1
InChIInChI=1S/C11H15NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6H,1,7-8,12H2,2H3
InChIKeyWQRKJASWYRVALD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.10
Rot. Bonds4

About [4-(2-methylprop-2-enoxy)phenyl]methanamine

[4-(2-methylprop-2-enoxy)phenyl]methanamine (PubChem CID 54793590) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [4-(2-methylprop-2-enoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylprop-2-enoxy)phenyl]methanamine
PubChem CID54793590
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[4-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1ccc(CN)cc1
InChIInChI=1S/C11H15NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6H,1,7-8,12H2,2H3
InChIKeyWQRKJASWYRVALD-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.10
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

4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
3-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341495
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63677686
1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
CID 82262496
N'-[4-(2-methylprop-2-enoxy)phenyl]butane-1,4-diamine
CID 117097538
1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849083
N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
CID 54849864
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
CID 131845691
CID 131845691
[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
CID 117402969
2-[4-(aminomethyl)phenoxy]-N,N-bis(2-methoxyethyl)acetamide
CID 43587285
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylprop-2-enoxy)phenyl]methanamine?
The IUPAC name of [4-(2-methylprop-2-enoxy)phenyl]methanamine (CID 54793590) is [4-(2-methylprop-2-enoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-methylprop-2-enoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-methylprop-2-enoxy)phenyl]methanamine is C=C(C)COc1ccc(CN)cc1.
What is the InChIKey of [4-(2-methylprop-2-enoxy)phenyl]methanamine?
The InChIKey is WQRKJASWYRVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6H,1,7-8,12H2,2H3.
What are the key properties of [4-(2-methylprop-2-enoxy)phenyl]methanamine?
[4-(2-methylprop-2-enoxy)phenyl]methanamine has a molecular weight of 177.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylprop-2-enoxy)phenyl]methanamine is sourced from PubChem (CID 54793590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).