1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine

C15H23NO — CID 54849719

IUPAC1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine
SMILESC=CCc1cc(C(C)N)ccc1OCC(C)C
InChIInChI=1S/C15H23NO/c1-5-6-14-9-13(12(4)16)7-8-15(14)17-10-11(2)3/h5,7-9,11-12H,1,6,10,16H2,2-4H3
InChIKeyPHAIGZGODOFYDA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.47
Rot. Bonds6

About 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine

1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine (PubChem CID 54849719) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine
PubChem CID54849719
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine
SMILESC=CCc1cc(C(C)N)ccc1OCC(C)C
InChIInChI=1S/C15H23NO/c1-5-6-14-9-13(12(4)16)7-8-15(14)17-10-11(2)3/h5,7-9,11-12H,1,6,10,16H2,2-4H3
InChIKeyPHAIGZGODOFYDA-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.47
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-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol
CID 130657351
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
4-(1-aminoethyl)-2-prop-2-enylphenol
CID 54848971
1-[4-(3-methylbutoxy)-3-prop-2-enylphenyl]propan-1-amine
CID 54849551
3-ethyl-4-(2-methylpropoxy)aniline
CID 146676297
1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
1-fluoro-2-(2-methylpropoxy)-4-prop-2-enylbenzene
CID 91658243
1-[4-ethoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764224
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine?
The IUPAC name of 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine (CID 54849719) is 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine is C=CCc1cc(C(C)N)ccc1OCC(C)C.
What is the InChIKey of 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine?
The InChIKey is PHAIGZGODOFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-6-14-9-13(12(4)16)7-8-15(14)17-10-11(2)3/h5,7-9,11-12H,1,6,10,16H2,2-4H3.
What are the key properties of 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine?
1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)-3-prop-2-enylphenyl]ethanamine is sourced from PubChem (CID 54849719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).