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

C12H13NO — CID 117280803

IUPAC(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine
SMILESCc1coc2cccc(/C=C/CN)c12
InChIInChI=1S/C12H13NO/c1-9-8-14-11-6-2-4-10(12(9)11)5-3-7-13/h2-6,8H,7,13H2,1H3/b5-3+
InChIKeySGGHLROSCRHLIS-HWKANZROSA-N
MW187.24 g/mol
LogP2.71
Rot. Bonds2

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

(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine (PubChem CID 117280803) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine
PubChem CID117280803
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine
SMILESCc1coc2cccc(/C=C/CN)c12
InChIInChI=1S/C12H13NO/c1-9-8-14-11-6-2-4-10(12(9)11)5-3-7-13/h2-6,8H,7,13H2,1H3/b5-3+
InChIKeySGGHLROSCRHLIS-HWKANZROSA-N
XLogP2.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991
(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine
CID 117277112
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine
CID 131237474
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine
CID 82385550
ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine
CID 82385547
2-(3-aminoprop-1-enyl)aniline
CID 67152713
(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine
CID 118428912
3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran
CID 119026131
3-methyl-1-benzofuran-4-sulfonyl chloride
CID 83823871

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine (CID 117280803) is (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine is Cc1coc2cccc(/C=C/CN)c12.
What is the InChIKey of (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine?
The InChIKey is SGGHLROSCRHLIS-HWKANZROSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-8-14-11-6-2-4-10(12(9)11)5-3-7-13/h2-6,8H,7,13H2,1H3/b5-3+.
What are the key properties of (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine?
(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine has a molecular weight of 187.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 117280803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).