(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine

C12H17NO — CID 131577312

IUPAC(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
SMILESC[C@@H](N)CCc1cccc2c1OCC2
InChIInChI=1S/C12H17NO/c1-9(13)5-6-10-3-2-4-11-7-8-14-12(10)11/h2-4,9H,5-8,13H2,1H3/t9-/m1/s1
InChIKeyRBWXBVADPVKYMJ-SECBINFHSA-N
MW191.27 g/mol
LogP1.90
Rot. Bonds3

About (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine

(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine (PubChem CID 131577312) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
PubChem CID131577312
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
SMILESC[C@@H](N)CCc1cccc2c1OCC2
InChIInChI=1S/C12H17NO/c1-9(13)5-6-10-3-2-4-11-7-8-14-12(10)11/h2-4,9H,5-8,13H2,1H3/t9-/m1/s1
InChIKeyRBWXBVADPVKYMJ-SECBINFHSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
CID 130612679
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
7-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481550
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine?
The IUPAC name of (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine (CID 131577312) is (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine.
What is the SMILES notation for (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine?
The canonical SMILES for (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine is C[C@@H](N)CCc1cccc2c1OCC2.
What is the InChIKey of (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine?
The InChIKey is RBWXBVADPVKYMJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(13)5-6-10-3-2-4-11-7-8-14-12(10)11/h2-4,9H,5-8,13H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine?
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine is sourced from PubChem (CID 131577312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).