2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine

C13H19NO — CID 117294143

IUPAC2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
SMILESC=C(C)COc1ccccc1C(C)(C)N
InChIInChI=1S/C13H19NO/c1-10(2)9-15-12-8-6-5-7-11(12)13(3,4)14/h5-8H,1,9,14H2,2-4H3
InChIKeySUYCREVCHRCFPX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine

2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine (PubChem CID 117294143) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
PubChem CID117294143
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
SMILESC=C(C)COc1ccccc1C(C)(C)N
InChIInChI=1S/C13H19NO/c1-10(2)9-15-12-8-6-5-7-11(12)13(3,4)14/h5-8H,1,9,14H2,2-4H3
InChIKeySUYCREVCHRCFPX-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
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

1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
1-ethynyl-2-(2-methylprop-2-enoxy)benzene
CID 11789677
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
2-(2-tert-butylphenoxy)acetamide
CID 17051379
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 117296323
sodium 2-(2-methylprop-2-enoxy)benzenesulfonate
CID 23690904
3-[2-chloro-3-(2-methylprop-2-enoxy)phenyl]-3-methylbutanoic acid
CID 117454490

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine (CID 117294143) is 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine is C=C(C)COc1ccccc1C(C)(C)N.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
The InChIKey is SUYCREVCHRCFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-15-12-8-6-5-7-11(12)13(3,4)14/h5-8H,1,9,14H2,2-4H3.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine is sourced from PubChem (CID 117294143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).