2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine

C18H21NO2 — CID 62571235

IUPAC2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-13-19-14-15(2)20-17-9-11-18(12-10-17)21-16-7-5-4-6-8-16/h3-12,15,19H,1,13-14H2,2H3
InChIKeyZRHCKCLFTMZOHZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds8

About 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine

2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine (PubChem CID 62571235) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine
PubChem CID62571235
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-13-19-14-15(2)20-17-9-11-18(12-10-17)21-16-7-5-4-6-8-16/h3-12,15,19H,1,13-14H2,2H3
InChIKeyZRHCKCLFTMZOHZ-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
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

2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 62570863
2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine
CID 115493408
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745
1-ethenoxypropan-2-yloxybenzene
CID 19808106
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
N-(2-phenoxypropyl)-2-propan-2-ylaniline
CID 54800400
N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline
CID 54796761
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
1-(4-phenoxyphenyl)-3-(prop-2-enylcarbamothioylamino)thiourea
CID 35262665
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571
hex-5-en-3-yloxybenzene
CID 174866865
1-phenylethanamine;N-prop-2-enylprop-2-en-1-amine
CID 174913202

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine (CID 62571235) is 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine?
The InChIKey is ZRHCKCLFTMZOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-13-19-14-15(2)20-17-9-11-18(12-10-17)21-16-7-5-4-6-8-16/h3-12,15,19H,1,13-14H2,2H3.
What are the key properties of 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine?
2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62571235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).