N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine

C17H27NO2 — CID 103228644

IUPACN-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
SMILESC=CCc1ccccc1OC(CNCC(C)C)COC
InChIInChI=1S/C17H27NO2/c1-5-8-15-9-6-7-10-17(15)20-16(13-19-4)12-18-11-14(2)3/h5-7,9-10,14,16,18H,1,8,11-13H2,2-4H3
InChIKeyPFHRADILZPFWFE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.05
Rot. Bonds10

About N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine

N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 103228644) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
PubChem CID103228644
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
SMILESC=CCc1ccccc1OC(CNCC(C)C)COC
InChIInChI=1S/C17H27NO2/c1-5-8-15-9-6-7-10-17(15)20-16(13-19-4)12-18-11-14(2)3/h5-7,9-10,14,16,18H,1,8,11-13H2,2-4H3
InChIKeyPFHRADILZPFWFE-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.05
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

3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
CID 103228640
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228645
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 24906198
N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228067
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine
CID 551707
2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole
CID 51550729
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine (CID 103228644) is N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine is C=CCc1ccccc1OC(CNCC(C)C)COC.
What is the InChIKey of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is PFHRADILZPFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-8-15-9-6-7-10-17(15)20-16(13-19-4)12-18-11-14(2)3/h5-7,9-10,14,16,18H,1,8,11-13H2,2-4H3.
What are the key properties of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine?
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103228644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).