2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one

C13H17NO2 — CID 82341494

IUPAC2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
SMILESC=C(C)COc1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)8-16-12-6-4-11(5-7-12)13(15)10(3)14/h4-7,10H,1,8,14H2,2-3H3
InChIKeyQZOUDGHLSOFRSC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one

2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one (PubChem CID 82341494) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
PubChem CID82341494
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
SMILESC=C(C)COc1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)8-16-12-6-4-11(5-7-12)13(15)10(3)14/h4-7,10H,1,8,14H2,2-3H3
InChIKeyQZOUDGHLSOFRSC-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride
CID 67570371
3-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341495
2-amino-1-(4-decoxyphenyl)propan-1-one
CID 19897003
2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82101067
3-bromo-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82136357
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
3-[4-(2-methylprop-2-enoxy)phenyl]butanoic acid
CID 83970856
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
(3R)-5-methyl-3-[[4-(2-methylprop-2-enoxy)benzoyl]amino]hexanoic acid
CID 95046614
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one (CID 82341494) is 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one is C=C(C)COc1ccc(C(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
The InChIKey is QZOUDGHLSOFRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)8-16-12-6-4-11(5-7-12)13(15)10(3)14/h4-7,10H,1,8,14H2,2-3H3.
What are the key properties of 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one?
2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one is sourced from PubChem (CID 82341494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).