N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine

C18H21NO2 — CID 76943781

IUPACN-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESC(=Cc1ccccc1)COCc1cc(CNC2CC2)co1
InChIInChI=1S/C18H21NO2/c1-2-5-15(6-3-1)7-4-10-20-14-18-11-16(13-21-18)12-19-17-8-9-17/h1-7,11,13,17,19H,8-10,12,14H2
InChIKeyOZKAUZKAZBSKTK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.76
Rot. Bonds8

About N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 76943781) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID76943781
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESC(=Cc1ccccc1)COCc1cc(CNC2CC2)co1
InChIInChI=1S/C18H21NO2/c1-2-5-15(6-3-1)7-4-10-20-14-18-11-16(13-21-18)12-19-17-8-9-17/h1-7,11,13,17,19H,8-10,12,14H2
InChIKeyOZKAUZKAZBSKTK-UHFFFAOYSA-N
XLogP3.76
TPSA34.40 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 76943780
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 65125603
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 114470626
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
CID 62438694
N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine
CID 19917036
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 76943781) is N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine is C(=Cc1ccccc1)COCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is OZKAUZKAZBSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-5-15(6-3-1)7-4-10-20-14-18-11-16(13-21-18)12-19-17-8-9-17/h1-7,11,13,17,19H,8-10,12,14H2.
What are the key properties of N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 283.37 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 76943781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).