1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

C16H25NO2 — CID 115894124

IUPAC1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNC(CC)c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-5-15(17-10-11-19-12-13(2)3)14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyZRVYFFKESSFAFC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds9

About 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (PubChem CID 115894124) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
PubChem CID115894124
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNC(CC)c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-5-15(17-10-11-19-12-13(2)3)14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyZRVYFFKESSFAFC-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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

1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103782832
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 113258069
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (CID 115894124) is 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is C=C(C)COCCNC(CC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The InChIKey is ZRVYFFKESSFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-15(17-10-11-19-12-13(2)3)14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is sourced from PubChem (CID 115894124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).