N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine

C17H25NO2 — CID 115349777

IUPACN-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine
SMILESCOc1cc2c(cc1/C=C/CNC(C)(C)C)OC(C)C2
InChIInChI=1S/C17H25NO2/c1-12-9-14-11-15(19-5)13(10-16(14)20-12)7-6-8-18-17(2,3)4/h6-7,10-12,18H,8-9H2,1-5H3/b7-6+
InChIKeyQIKZIRJTZNRLMK-VOTSOKGWSA-N
MW275.39 g/mol
LogP3.42
Rot. Bonds4

About N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine

N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine (PubChem CID 115349777) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine
PubChem CID115349777
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine
SMILESCOc1cc2c(cc1/C=C/CNC(C)(C)C)OC(C)C2
InChIInChI=1S/C17H25NO2/c1-12-9-14-11-15(19-5)13(10-16(14)20-12)7-6-8-18-17(2,3)4/h6-7,10-12,18H,8-9H2,1-5H3/b7-6+
InChIKeyQIKZIRJTZNRLMK-VOTSOKGWSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enenitrile
CID 115350048
3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79343586
(E)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-propylbut-3-en-2-amine
CID 103092579
6-[(Z)-3-bromo-2-methylprop-1-enyl]-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 115349758
(2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine
CID 113291906
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106186264
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
(2S)-5-methoxy-2-methyl-6-[(E)-2-nitroprop-1-enyl]-2,3-dihydro-1-benzofuran
CID 7116379
(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 43034371
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
2-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83883232
[2-(tert-butylamino)-2-oxoethyl] (E)-3-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate
CID 7976914

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine (CID 115349777) is N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine is COc1cc2c(cc1/C=C/CNC(C)(C)C)OC(C)C2.
What is the InChIKey of N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine?
The InChIKey is QIKZIRJTZNRLMK-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-9-14-11-15(19-5)13(10-16(14)20-12)7-6-8-18-17(2,3)4/h6-7,10-12,18H,8-9H2,1-5H3/b7-6+.
What are the key properties of N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine?
N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115349777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).