(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine

C12H16N2O — CID 129493232

IUPAC(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16N2O/c13-11-7-14-6-10(11)8-1-2-12-9(5-8)3-4-15-12/h1-2,5,10-11,14H,3-4,6-7,13H2/t10-,11-/m0/s1
InChIKeyIGTOKZHXNPYDMC-QWRGUYRKSA-N
MW204.27 g/mol
LogP0.64
Rot. Bonds1

About (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine

(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine (PubChem CID 129493232) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
PubChem CID129493232
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16N2O/c13-11-7-14-6-10(11)8-1-2-12-9(5-8)3-4-15-12/h1-2,5,10-11,14H,3-4,6-7,13H2/t10-,11-/m0/s1
InChIKeyIGTOKZHXNPYDMC-QWRGUYRKSA-N
XLogP0.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine
CID 121199381
[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol
CID 121199351
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide
CID 104544340
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidine-3-carboxylate
CID 134162421

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine (CID 129493232) is (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine is N[C@H]1CNC[C@H]1c1ccc2c(c1)CCO2.
What is the InChIKey of (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine?
The InChIKey is IGTOKZHXNPYDMC-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-7-14-6-10(11)8-1-2-12-9(5-8)3-4-15-12/h1-2,5,10-11,14H,3-4,6-7,13H2/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine?
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine has a molecular weight of 204.27 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 129493232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).