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

C17H19NO2 — CID 106888078

IUPACN-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(OC2CC2)cc(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C17H19NO2/c1-2-12(10-15(3-1)20-14-6-7-14)16-8-9-19-17(16)11-18-13-4-5-13/h1-3,8-10,13-14,18H,4-7,11H2
InChIKeyMQUVFVCHISETKX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.74
Rot. Bonds6

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

N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888078) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888078
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc(OC2CC2)cc(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C17H19NO2/c1-2-12(10-15(3-1)20-14-6-7-14)16-8-9-19-17(16)11-18-13-4-5-13/h1-3,8-10,13-14,18H,4-7,11H2
InChIKeyMQUVFVCHISETKX-UHFFFAOYSA-N
XLogP3.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888100
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888739
N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
CID 106888611
N-[[3-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886975
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[[3-[(3-ethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62450134
N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106886738
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine (CID 106888078) is N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine is c1cc(OC2CC2)cc(-c2ccoc2CNC2CC2)c1.
What is the InChIKey of N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is MQUVFVCHISETKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-12(10-15(3-1)20-14-6-7-14)16-8-9-19-17(16)11-18-13-4-5-13/h1-3,8-10,13-14,18H,4-7,11H2.
What are the key properties of N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 269.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).