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

C17H27NO2 — CID 103228645

IUPACN-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine
SMILESC=CCc1ccccc1OC(CNC(C)(C)C)COC
InChIInChI=1S/C17H27NO2/c1-6-9-14-10-7-8-11-16(14)20-15(13-19-5)12-18-17(2,3)4/h6-8,10-11,15,18H,1,9,12-13H2,2-5H3
InChIKeyWJKBUMXDNVHDPX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.20
Rot. Bonds8

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

N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine (PubChem CID 103228645) 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-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine
PubChem CID103228645
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine
SMILESC=CCc1ccccc1OC(CNC(C)(C)C)COC
InChIInChI=1S/C17H27NO2/c1-6-9-14-10-7-8-11-16(14)20-15(13-19-5)12-18-17(2,3)4/h6-8,10-11,15,18H,1,9,12-13H2,2-5H3
InChIKeyWJKBUMXDNVHDPX-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.20
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-1-amine
CID 103228644
N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228403
N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
N-(3-methoxy-2-pyridin-3-yloxypropyl)-2-methylpropan-2-amine
CID 103228028
N-[2-[(2-chlorophenyl)methoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227796
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 24906198
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 103227736

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine (CID 103228645) is N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine is C=CCc1ccccc1OC(CNC(C)(C)C)COC.
What is the InChIKey of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is WJKBUMXDNVHDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-9-14-10-7-8-11-16(14)20-15(13-19-5)12-18-17(2,3)4/h6-8,10-11,15,18H,1,9,12-13H2,2-5H3.
What are the key properties of N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine?
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.20, 8 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-2-amine is sourced from PubChem (CID 103228645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).