N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine

C17H19NO2 — CID 106888229

IUPACN-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(c(-c3ccc(CNC4CC4)o3)c1)OCCC2
InChIInChI=1S/C17H19NO2/c1-3-12-4-2-10-19-17(12)15(5-1)16-9-8-14(20-16)11-18-13-6-7-13/h1,3,5,8-9,13,18H,2,4,6-7,10-11H2
InChIKeyARPCLIDOZSJHSI-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.52
Rot. Bonds4

About N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888229) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888229
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(c(-c3ccc(CNC4CC4)o3)c1)OCCC2
InChIInChI=1S/C17H19NO2/c1-3-12-4-2-10-19-17(12)15(5-1)16-9-8-14(20-16)11-18-13-6-7-13/h1,3,5,8-9,13,18H,2,4,6-7,10-11H2
InChIKeyARPCLIDOZSJHSI-UHFFFAOYSA-N
XLogP3.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
CID 114746607
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887909
N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
CID 43808705
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 114746570
(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 166232718
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine
CID 106888261
4-[(5-phenylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509758

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine (CID 106888229) is N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine is c1cc2c(c(-c3ccc(CNC4CC4)o3)c1)OCCC2.
What is the InChIKey of N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ARPCLIDOZSJHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-12-4-2-10-19-17(12)15(5-1)16-9-8-14(20-16)11-18-13-6-7-13/h1,3,5,8-9,13,18H,2,4,6-7,10-11H2.
What are the key properties of N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 269.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).