N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

C18H21NO2 — CID 62523408

IUPACN-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESC=CCc1ccccc1OCc1occc1CNC1CC1
InChIInChI=1S/C18H21NO2/c1-2-5-14-6-3-4-7-17(14)21-13-18-15(10-11-20-18)12-19-16-8-9-16/h2-4,6-7,10-11,16,19H,1,5,8-9,12-13H2
InChIKeySWFZLINMVPWGPX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.84
Rot. Bonds8

About N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62523408) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62523408
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESC=CCc1ccccc1OCc1occc1CNC1CC1
InChIInChI=1S/C18H21NO2/c1-2-5-14-6-3-4-7-17(14)21-13-18-15(10-11-20-18)12-19-16-8-9-16/h2-4,6-7,10-11,16,19H,1,5,8-9,12-13H2
InChIKeySWFZLINMVPWGPX-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62449785
N-[[2-[(4-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62453268
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62454822
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62455562
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[2-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62459443
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[2-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 64602366

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (CID 62523408) is N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is C=CCc1ccccc1OCc1occc1CNC1CC1.
What is the InChIKey of N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is SWFZLINMVPWGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-5-14-6-3-4-7-17(14)21-13-18-15(10-11-20-18)12-19-16-8-9-16/h2-4,6-7,10-11,16,19H,1,5,8-9,12-13H2.
What are the key properties of N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 283.37 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62523408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).