2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine

C13H17NO — CID 103074650

IUPAC2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
SMILESC=CCc1ccccc1OCC(=C)CN
InChIInChI=1S/C13H17NO/c1-3-6-12-7-4-5-8-13(12)15-10-11(2)9-14/h3-5,7-8H,1-2,6,9-10,14H2
InChIKeyMTTIFGLTRGMNSW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.31
Rot. Bonds6

About 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine

2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine (PubChem CID 103074650) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
PubChem CID103074650
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
SMILESC=CCc1ccccc1OCC(=C)CN
InChIInChI=1S/C13H17NO/c1-3-6-12-7-4-5-8-13(12)15-10-11(2)9-14/h3-5,7-8H,1-2,6,9-10,14H2
InChIKeyMTTIFGLTRGMNSW-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.31
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

2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
1-(2-prop-2-enylphenoxy)pentan-2-one
CID 62044058
(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
CID 5489436
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
2-[2-(2-prop-2-enylphenoxy)ethoxy]benzenecarbothioamide
CID 22684964
2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066836
1-prop-2-enyl-2-propylperoxybenzene
CID 87336505
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
2-methyl-4-(2-prop-2-enylphenoxy)but-2-enoic acid
CID 77075220
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
1-(3-bromo-2,2-dimethylpropoxy)-2-prop-2-enylbenzene
CID 64994697

Frequently Asked Questions

What is the IUPAC name of 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine (CID 103074650) is 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine is C=CCc1ccccc1OCC(=C)CN.
What is the InChIKey of 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine?
The InChIKey is MTTIFGLTRGMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-6-12-7-4-5-8-13(12)15-10-11(2)9-14/h3-5,7-8H,1-2,6,9-10,14H2.
What are the key properties of 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine?
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103074650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).