3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine

C16H25NO2 — CID 103228640

IUPAC3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OC(CNC(C)C)COC
InChIInChI=1S/C16H25NO2/c1-5-8-14-9-6-7-10-16(14)19-15(12-18-4)11-17-13(2)3/h5-7,9-10,13,15,17H,1,8,11-12H2,2-4H3
InChIKeyBEHVEQVSKCYBMB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds9

About 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine

3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine (PubChem CID 103228640) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
PubChem CID103228640
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OC(CNC(C)C)COC
InChIInChI=1S/C16H25NO2/c1-5-8-14-9-6-7-10-16(14)19-15(12-18-4)11-17-13(2)3/h5-7,9-10,13,15,17H,1,8,11-12H2,2-4H3
InChIKeyBEHVEQVSKCYBMB-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
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

N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 103228644
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228645
N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine
CID 551707
[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl] nitrate
CID 11565574
5-oxo-5-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxypentanoic acid
CID 15615402
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
CID 103229133
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519
N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine (CID 103228640) is 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine is C=CCc1ccccc1OC(CNC(C)C)COC.
What is the InChIKey of 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine?
The InChIKey is BEHVEQVSKCYBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-8-14-9-6-7-10-16(14)19-15(12-18-4)11-17-13(2)3/h5-7,9-10,13,15,17H,1,8,11-12H2,2-4H3.
What are the key properties of 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine?
3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine is sourced from PubChem (CID 103228640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).