N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine

C14H21NO — CID 64866852

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO/c1-14(2,3)15-8-6-11-4-5-13-12(10-11)7-9-16-13/h4-5,10,15H,6-9H2,1-3H3
InChIKeyJXDVJRBFBIIVIY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds3

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 64866852) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
PubChem CID64866852
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO/c1-14(2,3)15-8-6-11-4-5-13-12(10-11)7-9-16-13/h4-5,10,15H,6-9H2,1-3H3
InChIKeyJXDVJRBFBIIVIY-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylbut-3-yn-2-amine
CID 65446355
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
3-(chloromethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pentan-3-amine
CID 65446522
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932
5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
CID 110792417
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115756831
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzodioxol-5-amine
CID 65431228

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine (CID 64866852) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is JXDVJRBFBIIVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)15-8-6-11-4-5-13-12(10-11)7-9-16-13/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64866852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).