3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine

C17H27NO2 — CID 43102840

IUPAC3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-19-12-6-11-18-15(4)16-7-9-17(10-8-16)20-13-14(2)3/h5,7-10,14-15,18H,1,6,11-13H2,2-4H3
InChIKeyBJXVDTYBVKTRKK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.92
Rot. Bonds10

About 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine

3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43102840) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine
PubChem CID43102840
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-19-12-6-11-18-15(4)16-7-9-17(10-8-16)20-13-14(2)3/h5,7-10,14-15,18H,1,6,11-13H2,2-4H3
InChIKeyBJXVDTYBVKTRKK-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanenitrile
CID 43207709
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207293
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-ethenoxypropan-1-amine
CID 43207354
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
2-[4-[1-(pent-4-enylamino)ethyl]phenoxy]acetonitrile
CID 113350674
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 43207304

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine (CID 43102840) is 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine is C=COCCCNC(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is BJXVDTYBVKTRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-19-12-6-11-18-15(4)16-7-9-17(10-8-16)20-13-14(2)3/h5,7-10,14-15,18H,1,6,11-13H2,2-4H3.
What are the key properties of 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine?
3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43102840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).