N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C18H27NO — CID 105053489

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H27NO/c1-6-19-14(16-17(2,3)18(16,4)5)13-9-7-8-12-10-11-20-15(12)13/h7-9,14,16,19H,6,10-11H2,1-5H3
InChIKeyKLCRCYUOONXASS-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.95
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 105053489) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID105053489
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H27NO/c1-6-19-14(16-17(2,3)18(16,4)5)13-9-7-8-12-10-11-20-15(12)13/h7-9,14,16,19H,6,10-11H2,1-5H3
InChIKeyKLCRCYUOONXASS-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine
CID 105189400
N-[2,3-dihydro-1-benzofuran-7-yl(thian-2-yl)methyl]ethanamine
CID 114745936
N-[2,3-dihydro-1-benzofuran-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346208
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
CID 114744941
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
N-[3,4-dihydro-2H-chromen-8-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114745396
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 105053489) is N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1cccc2c1OCC2)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is KLCRCYUOONXASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-19-14(16-17(2,3)18(16,4)5)13-9-7-8-12-10-11-20-15(12)13/h7-9,14,16,19H,6,10-11H2,1-5H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105053489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).