N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine

C16H23NO — CID 107001033

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)C1CC1(C)C
InChIInChI=1S/C16H23NO/c1-4-17-15(13-10-16(13,2)3)12-5-6-14-11(9-12)7-8-18-14/h5-6,9,13,15,17H,4,7-8,10H2,1-3H3
InChIKeyBGJNXOYJRSPXBT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.32
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine (PubChem CID 107001033) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
PubChem CID107001033
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)C1CC1(C)C
InChIInChI=1S/C16H23NO/c1-4-17-15(13-10-16(13,2)3)12-5-6-14-11(9-12)7-8-18-14/h5-6,9,13,15,17H,4,7-8,10H2,1-3H3
InChIKeyBGJNXOYJRSPXBT-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001028
N-[(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 107001259
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001092
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001220
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004507
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine (CID 107001033) is N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCO2)C1CC1(C)C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
The InChIKey is BGJNXOYJRSPXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-17-15(13-10-16(13,2)3)12-5-6-14-11(9-12)7-8-18-14/h5-6,9,13,15,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.32, 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-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 107001033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).