N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine

C16H19NO3 — CID 106887909

IUPACN-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ccc(CNC3CC3)o2)c1OC
InChIInChI=1S/C16H19NO3/c1-18-15-5-3-4-13(16(15)19-2)14-9-8-12(20-14)10-17-11-6-7-11/h3-5,8-9,11,17H,6-7,10H2,1-2H3
InChIKeyOPRRLSPNRCGLCC-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.22
Rot. Bonds6

About N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106887909) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106887909
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ccc(CNC3CC3)o2)c1OC
InChIInChI=1S/C16H19NO3/c1-18-15-5-3-4-13(16(15)19-2)14-9-8-12(20-14)10-17-11-6-7-11/h3-5,8-9,11,17H,6-7,10H2,1-2H3
InChIKeyOPRRLSPNRCGLCC-UHFFFAOYSA-N
XLogP3.22
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
CID 43808705
N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146136
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 78895208
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888229
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886973

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine (CID 106887909) is N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine is COc1cccc(-c2ccc(CNC3CC3)o2)c1OC.
What is the InChIKey of N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is OPRRLSPNRCGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-15-5-3-4-13(16(15)19-2)14-9-8-12(20-14)10-17-11-6-7-11/h3-5,8-9,11,17H,6-7,10H2,1-2H3.
What are the key properties of N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 273.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106887909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).