(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine

C10H14N2O — CID 130643053

IUPAC(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine
SMILESCCc1ccc(N)c2c1[C@@H](N)CO2
InChIInChI=1S/C10H14N2O/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-4,8H,2,5,11-12H2,1H3/t8-/m0/s1
InChIKeyDWKIBSJIYAMJJV-QMMMGPOBSA-N
MW178.24 g/mol
LogP1.22
Rot. Bonds1

About (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine

(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine (PubChem CID 130643053) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine.

Molecular Properties

Compound Name(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine
PubChem CID130643053
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine
SMILESCCc1ccc(N)c2c1[C@@H](N)CO2
InChIInChI=1S/C10H14N2O/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-4,8H,2,5,11-12H2,1H3/t8-/m0/s1
InChIKeyDWKIBSJIYAMJJV-QMMMGPOBSA-N
XLogP1.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 130741328
(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
CID 131081672
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3,6-diamine
CID 55293145
(3R)-7-ethyl-5-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130609262
(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 130673857
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130739663
3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 130053828
3,6-diamino-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 55296349
(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 131145871
7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512086
4-methyl-2,3-dihydrofuro[2,3-b]pyridin-3-amine
CID 86721935

Frequently Asked Questions

What is the IUPAC name of (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine?
The IUPAC name of (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine (CID 130643053) is (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine.
What is the SMILES notation for (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine?
The canonical SMILES for (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine is CCc1ccc(N)c2c1[C@@H](N)CO2.
What is the InChIKey of (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine?
The InChIKey is DWKIBSJIYAMJJV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-6-3-4-7(11)10-9(6)8(12)5-13-10/h3-4,8H,2,5,11-12H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine?
(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine has a molecular weight of 178.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine is sourced from PubChem (CID 130643053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).