(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride

C15H22Cl2N2O2 — CID 154906463

IUPAC(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCCc1oc2ccccc2c1CN1C[C@@H](N)[C@H](O)C1.Cl.Cl
InChIInChI=1S/C15H20N2O2.2ClH/c1-2-14-11(7-17-8-12(16)13(18)9-17)10-5-3-4-6-15(10)19-14;;/h3-6,12-13,18H,2,7-9,16H2,1H3;2*1H/t12-,13-;;/m1../s1
InChIKeyHCLMPLZANNZXOZ-SNFSYSBXSA-N
MW333.26 g/mol
LogP2.34
Rot. Bonds3

About (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride

(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride (PubChem CID 154906463) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride
PubChem CID154906463
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCCc1oc2ccccc2c1CN1C[C@@H](N)[C@H](O)C1.Cl.Cl
InChIInChI=1S/C15H20N2O2.2ClH/c1-2-14-11(7-17-8-12(16)13(18)9-17)10-5-3-4-6-15(10)19-14;;/h3-6,12-13,18H,2,7-9,16H2,1H3;2*1H/t12-,13-;;/m1../s1
InChIKeyHCLMPLZANNZXOZ-SNFSYSBXSA-N
XLogP2.34
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride with MolForge

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Related Compounds

[1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154904546
1-[(2-ethyl-1-benzofuran-3-yl)methyl]piperidine-3-carboxylic acid
CID 122040712
(1S,5S)-3-[(2-ethyl-1-benzofuran-3-yl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063901
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
CID 112804969
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 63160099
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906699
(3S,4R)-1-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(1-methylimidazol-4-yl)pyrrolidin-3-amine
CID 154767479
N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62438923
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
2-ethyl-3-pentyl-1-benzofuran
CID 70503240

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride (CID 154906463) is (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride is CCc1oc2ccccc2c1CN1C[C@@H](N)[C@H](O)C1.Cl.Cl.
What is the InChIKey of (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
The InChIKey is HCLMPLZANNZXOZ-SNFSYSBXSA-N. The full InChI is InChI=1S/C15H20N2O2.2ClH/c1-2-14-11(7-17-8-12(16)13(18)9-17)10-5-3-4-6-15(10)19-14;;/h3-6,12-13,18H,2,7-9,16H2,1H3;2*1H/t12-,13-;;/m1../s1.
What are the key properties of (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride?
(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 154906463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).