N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine

C18H21NO — CID 114376228

IUPACN-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
SMILESc1c2c(cc3c(C4CC4)c(CNC4CC4)oc13)CCC2
InChIInChI=1S/C18H21NO/c1-2-12-8-15-16(9-13(12)3-1)20-17(10-19-14-6-7-14)18(15)11-4-5-11/h8-9,11,14,19H,1-7,10H2
InChIKeyKHTKJRXKQRPXJN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.05
Rot. Bonds4

About N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine

N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 114376228) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID114376228
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
SMILESc1c2c(cc3c(C4CC4)c(CNC4CC4)oc13)CCC2
InChIInChI=1S/C18H21NO/c1-2-12-8-15-16(9-13(12)3-1)20-17(10-19-14-6-7-14)18(15)11-4-5-11/h8-9,11,14,19H,1-7,10H2
InChIKeyKHTKJRXKQRPXJN-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine
CID 114377164
N-[(3-ethyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
CID 104842941
N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377290
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
CID 114376554
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62136870
N-[[2-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62459443
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184355
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377188
N,2-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-7-amine
CID 83905480
N-[[4-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63428334

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine (CID 114376228) is N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine is c1c2c(cc3c(C4CC4)c(CNC4CC4)oc13)CCC2.
What is the InChIKey of N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is KHTKJRXKQRPXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-12-8-15-16(9-13(12)3-1)20-17(10-19-14-6-7-14)18(15)11-4-5-11/h8-9,11,14,19H,1-7,10H2.
What are the key properties of N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine?
N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114376228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).