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

C15H21NO — CID 79346860

IUPACN-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO/c1-15(2,3)16-9-4-5-12-6-7-14-13(11-12)8-10-17-14/h4-7,11,16H,8-10H2,1-3H3
InChIKeyOOFLGJBXOXRDIB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds3

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

N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine (PubChem CID 79346860) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine
PubChem CID79346860
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO/c1-15(2,3)16-9-4-5-12-6-7-14-13(11-12)8-10-17-14/h4-7,11,16H,8-10H2,1-3H3
InChIKeyOOFLGJBXOXRDIB-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465576
5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran
CID 170499269
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]-3-methylbutanoic acid
CID 77058343
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870213
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
5-[(E)-3-chlorobut-1-enyl]-2,3-dihydro-1-benzofuran
CID 130539002
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine (CID 79346860) is N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine is CC(C)(C)NCC=Cc1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine?
The InChIKey is OOFLGJBXOXRDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)16-9-4-5-12-6-7-14-13(11-12)8-10-17-14/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine?
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79346860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).