2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine

C15H23NO — CID 76943857

IUPAC2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)OCC=Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-3-11-16-13-14(2)17-12-7-10-15-8-5-4-6-9-15/h4-10,14,16H,3,11-13H2,1-2H3
InChIKeyLKEVWZUVKMMSIZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.10
Rot. Bonds8

About 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine

2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine (PubChem CID 76943857) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine
PubChem CID76943857
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)OCC=Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-3-11-16-13-14(2)17-12-7-10-15-8-5-4-6-9-15/h4-10,14,16H,3,11-13H2,1-2H3
InChIKeyLKEVWZUVKMMSIZ-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943787
N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943783
N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
CID 83045552
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118
N-[2-[1-[(E)-3-phenylprop-2-enoxy]cyclobutyl]ethyl]propan-1-amine
CID 103273311
N-methyl-1-phenyl-1-(3-phenylprop-2-enoxy)propan-2-amine
CID 67312766
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
[(E)-3-benzhydryloxyprop-1-enyl]benzene
CID 11197353
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 76938521

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine?
The IUPAC name of 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine (CID 76943857) is 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine is CCCNCC(C)OCC=Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine?
The InChIKey is LKEVWZUVKMMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-11-16-13-14(2)17-12-7-10-15-8-5-4-6-9-15/h4-10,14,16H,3,11-13H2,1-2H3.
What are the key properties of 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine?
2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 76943857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).