1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine

C18H19NO2 — CID 114727504

IUPAC1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
SMILESCc1cccc2cc(C(N)CCOc3ccccc3)oc12
InChIInChI=1S/C18H19NO2/c1-13-6-5-7-14-12-17(21-18(13)14)16(19)10-11-20-15-8-3-2-4-9-15/h2-9,12,16H,10-11,19H2,1H3
InChIKeyMDACXXGDZNOABR-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.21
Rot. Bonds5

About 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine

1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine (PubChem CID 114727504) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
PubChem CID114727504
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
SMILESCc1cccc2cc(C(N)CCOc3ccccc3)oc12
InChIInChI=1S/C18H19NO2/c1-13-6-5-7-14-12-17(21-18(13)14)16(19)10-11-20-15-8-3-2-4-9-15/h2-9,12,16H,10-11,19H2,1H3
InChIKeyMDACXXGDZNOABR-UHFFFAOYSA-N
XLogP4.21
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
[1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethyl]hydrazine
CID 105212911
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
CID 105209906
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408
methyl 2-(7-methyl-1-benzofuran-2-yl)hexanoate
CID 114732671
1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
CID 55134645
[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105235506

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine (CID 114727504) is 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine is Cc1cccc2cc(C(N)CCOc3ccccc3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine?
The InChIKey is MDACXXGDZNOABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-6-5-7-14-12-17(21-18(13)14)16(19)10-11-20-15-8-3-2-4-9-15/h2-9,12,16H,10-11,19H2,1H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine?
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 114727504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).