(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine

C12H15NO — CID 117281496

IUPAC(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine
SMILESCc1ccc2c(c1/C=C/CN)CCO2
InChIInChI=1S/C12H15NO/c1-9-4-5-12-11(6-8-14-12)10(9)3-2-7-13/h2-5H,6-8,13H2,1H3/b3-2+
InChIKeyHCTGHTNLQYGIQM-NSCUHMNNSA-N
MW189.26 g/mol
LogP1.90
Rot. Bonds2

About (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine

(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine (PubChem CID 117281496) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine
PubChem CID117281496
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine
SMILESCc1ccc2c(c1/C=C/CN)CCO2
InChIInChI=1S/C12H15NO/c1-9-4-5-12-11(6-8-14-12)10(9)3-2-7-13/h2-5H,6-8,13H2,1H3/b3-2+
InChIKeyHCTGHTNLQYGIQM-NSCUHMNNSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
4-chloro-5-methyl-2,3-dihydro-1-benzofuran
CID 89474128
(E)-3-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
CID 117351883
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
CID 159534872
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
CID 117309972
4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
CID 88975705
2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
CID 117283160
(E)-3-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117283537
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
2-(3-aminoprop-1-enyl)-6-fluoro-3-methylbenzaldehyde
CID 169463814
(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352404
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine (CID 117281496) is (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine is Cc1ccc2c(c1/C=C/CN)CCO2.
What is the InChIKey of (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine?
The InChIKey is HCTGHTNLQYGIQM-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-5-12-11(6-8-14-12)10(9)3-2-7-13/h2-5H,6-8,13H2,1H3/b3-2+.
What are the key properties of (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine?
(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 117281496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).