(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine

C16H21NO2 — CID 114376197

IUPAC(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine
SMILESCCCc1c(CN)oc2c3c(ccc12)CC(C)(C)O3
InChIInChI=1S/C16H21NO2/c1-4-5-11-12-7-6-10-8-16(2,3)19-14(10)15(12)18-13(11)9-17/h6-7H,4-5,8-9,17H2,1-3H3
InChIKeyGTVYOPIKVSAKTQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.56
Rot. Bonds3

About (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine

(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine (PubChem CID 114376197) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine
PubChem CID114376197
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine
SMILESCCCc1c(CN)oc2c3c(ccc12)CC(C)(C)O3
InChIInChI=1S/C16H21NO2/c1-4-5-11-12-7-6-10-8-16(2,3)19-14(10)15(12)18-13(11)9-17/h6-7H,4-5,8-9,17H2,1-3H3
InChIKeyGTVYOPIKVSAKTQ-UHFFFAOYSA-N
XLogP3.56
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine?
The IUPAC name of (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine (CID 114376197) is (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine is CCCc1c(CN)oc2c3c(ccc12)CC(C)(C)O3.
What is the InChIKey of (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine?
The InChIKey is GTVYOPIKVSAKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-5-11-12-7-6-10-8-16(2,3)19-14(10)15(12)18-13(11)9-17/h6-7H,4-5,8-9,17H2,1-3H3.
What are the key properties of (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine?
(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine is sourced from PubChem (CID 114376197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).