2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine

C14H21NO2 — CID 103066692

IUPAC2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COc1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-4-9-15-10-12(2)11-17-14-8-6-5-7-13(14)16-3/h5-8,15H,2,4,9-11H2,1,3H3
InChIKeyNIPVGBFSPYBXCW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds8

About 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine

2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine (PubChem CID 103066692) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine
PubChem CID103066692
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COc1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-4-9-15-10-12(2)11-17-14-8-6-5-7-13(14)16-3/h5-8,15H,2,4,9-11H2,1,3H3
InChIKeyNIPVGBFSPYBXCW-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103070832
2-[(3-iodophenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066884
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide
CID 47439278
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 60883012
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-ethyl-2-[2-(2-methoxyphenoxy)ethylamino]acetamide
CID 60672629
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62458867
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
CID 66047570
N-ethyl-N'-(2-methoxyphenyl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070217
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine (CID 103066692) is 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)COc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine?
The InChIKey is NIPVGBFSPYBXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-15-10-12(2)11-17-14-8-6-5-7-13(14)16-3/h5-8,15H,2,4,9-11H2,1,3H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine?
2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103066692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).