1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine

C15H21NO2 — CID 115350069

IUPAC1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C15H21NO2/c1-9-4-10-6-15(17-3)13(7-14(10)18-9)12-5-11(12)8-16-2/h6-7,9,11-12,16H,4-5,8H2,1-3H3
InChIKeyPKNVWRCVECTLPI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine

1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 115350069) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine
PubChem CID115350069
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C15H21NO2/c1-9-4-10-6-15(17-3)13(7-14(10)18-9)12-5-11(12)8-16-2/h6-7,9,11-12,16H,4-5,8H2,1-3H3
InChIKeyPKNVWRCVECTLPI-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
CID 113291875
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one
CID 103439709
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 113291957
cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
2,2-difluoro-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
CID 113291942
1-(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 84633542
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 113291917
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]oxetan-3-amine
CID 115349694
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine (CID 115350069) is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine is CNCC1CC1c1cc2c(cc1OC)CC(C)O2.
What is the InChIKey of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is PKNVWRCVECTLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-4-10-6-15(17-3)13(7-14(10)18-9)12-5-11(12)8-16-2/h6-7,9,11-12,16H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine?
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 115350069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).