(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine

C13H19NO — CID 63366086

IUPAC(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
SMILESC=C(C)COc1ccccc1[C@H](N)CC
InChIInChI=1S/C13H19NO/c1-4-12(14)11-7-5-6-8-13(11)15-9-10(2)3/h5-8,12H,2,4,9,14H2,1,3H3/t12-/m1/s1
InChIKeyJKEPJAWEMQMUPG-GFCCVEGCSA-N
MW205.30 g/mol
LogP3.05
Rot. Bonds5

About (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine

(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine (PubChem CID 63366086) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
PubChem CID63366086
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
SMILESC=C(C)COc1ccccc1[C@H](N)CC
InChIInChI=1S/C13H19NO/c1-4-12(14)11-7-5-6-8-13(11)15-9-10(2)3/h5-8,12H,2,4,9,14H2,1,3H3/t12-/m1/s1
InChIKeyJKEPJAWEMQMUPG-GFCCVEGCSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.05
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

(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
CID 104930417
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932557
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine (CID 63366086) is (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine is C=C(C)COc1ccccc1[C@H](N)CC.
What is the InChIKey of (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
The InChIKey is JKEPJAWEMQMUPG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-12(14)11-7-5-6-8-13(11)15-9-10(2)3/h5-8,12H,2,4,9,14H2,1,3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine?
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine is sourced from PubChem (CID 63366086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).