(E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine

C17H25NO2 — CID 103092579

IUPAC(E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C17H25NO2/c1-5-8-18-12(2)6-7-14-10-17-15(9-13(3)20-17)11-16(14)19-4/h6-7,10-13,18H,5,8-9H2,1-4H3/b7-6+
InChIKeyQWSCXCONRWBENX-VOTSOKGWSA-N
MW275.39 g/mol
LogP3.42
Rot. Bonds6

About (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine

(E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine (PubChem CID 103092579) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine
PubChem CID103092579
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C17H25NO2/c1-5-8-18-12(2)6-7-14-10-17-15(9-13(3)20-17)11-16(14)19-4/h6-7,10-13,18H,5,8-9H2,1-4H3/b7-6+
InChIKeyQWSCXCONRWBENX-VOTSOKGWSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine with MolForge

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Related Compounds

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate
CID 115349864
N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 115349777
(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enenitrile
CID 115350048
(2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine
CID 113291906
6-[(Z)-3-bromo-2-methylprop-1-enyl]-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 115349758
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-2-amine
CID 78910436
3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79343586
(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
CID 103092844
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate
CID 115282644
(2S)-5-methoxy-2-methyl-6-[(E)-2-nitroprop-1-enyl]-2,3-dihydro-1-benzofuran
CID 7116379
N-ethyl-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanamide
CID 78910537

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine (CID 103092579) is (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1cc2c(cc1OC)CC(C)O2.
What is the InChIKey of (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine?
The InChIKey is QWSCXCONRWBENX-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-8-18-12(2)6-7-14-10-17-15(9-13(3)20-17)11-16(14)19-4/h6-7,10-13,18H,5,8-9H2,1-4H3/b7-6+.
What are the key properties of (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine?
(E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine has a molecular weight of 275.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).