N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine

C17H21NO2 — CID 81041078

IUPACN-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)oc2c3c(ccc12)CC(C)(C)O3
InChIInChI=1S/C17H21NO2/c1-10-13-7-4-11-8-17(2,3)20-15(11)16(13)19-14(10)9-18-12-5-6-12/h4,7,12,18H,5-6,8-9H2,1-3H3
InChIKeyGVAJCLPDGMJCHA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.71
Rot. Bonds3

About N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine

N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine (PubChem CID 81041078) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine
PubChem CID81041078
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)oc2c3c(ccc12)CC(C)(C)O3
InChIInChI=1S/C17H21NO2/c1-10-13-7-4-11-8-17(2,3)20-15(11)16(13)19-14(10)9-18-12-5-6-12/h4,7,12,18H,5-6,8-9H2,1-3H3
InChIKeyGVAJCLPDGMJCHA-UHFFFAOYSA-N
XLogP3.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine
CID 114376197
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thian-4-amine
CID 115641639
N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888739
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
N-[(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]ethanamine
CID 65439969
1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 126769654
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
CID 64506591
N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 126777889
2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one
CID 83049104
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
CID 79642651

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine (CID 81041078) is N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine is Cc1c(CNC2CC2)oc2c3c(ccc12)CC(C)(C)O3.
What is the InChIKey of N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine?
The InChIKey is GVAJCLPDGMJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-10-13-7-4-11-8-17(2,3)20-15(11)16(13)19-14(10)9-18-12-5-6-12/h4,7,12,18H,5-6,8-9H2,1-3H3.
What are the key properties of N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine?
N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine is sourced from PubChem (CID 81041078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).