N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine

C17H27NO2 — CID 62571340

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H27NO2/c1-6-12(2)18-11-13(3)19-15-9-7-8-14-10-17(4,5)20-16(14)15/h7-9,12-13,18H,6,10-11H2,1-5H3
InChIKeyIGBUFYBRQPTLFK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine (PubChem CID 62571340) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine
PubChem CID62571340
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H27NO2/c1-6-12(2)18-11-13(3)19-15-9-7-8-14-10-17(4,5)20-16(14)15/h7-9,12-13,18H,6,10-11H2,1-5H3
InChIKeyIGBUFYBRQPTLFK-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 62453850
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide
CID 62901438
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propanoate
CID 94156900
2-amino-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methylpentanenitrile
CID 64725603
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine
CID 83044315
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine
CID 106800682
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552006
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
3-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]aniline
CID 61262577
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine (CID 62571340) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine is CCC(C)NCC(C)Oc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine?
The InChIKey is IGBUFYBRQPTLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-12(2)18-11-13(3)19-15-9-7-8-14-10-17(4,5)20-16(14)15/h7-9,12-13,18H,6,10-11H2,1-5H3.
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]butan-2-amine is sourced from PubChem (CID 62571340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).