1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine

C17H17NO2 — CID 114728378

IUPAC1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
SMILESCc1cccc2cc(C(N)COc3ccccc3)oc12
InChIInChI=1S/C17H17NO2/c1-12-6-5-7-13-10-16(20-17(12)13)15(18)11-19-14-8-3-2-4-9-14/h2-10,15H,11,18H2,1H3
InChIKeyOZNMARXSSYKCMZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.82
Rot. Bonds4

About 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine

1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine (PubChem CID 114728378) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
PubChem CID114728378
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
SMILESCc1cccc2cc(C(N)COc3ccccc3)oc12
InChIInChI=1S/C17H17NO2/c1-12-6-5-7-13-10-16(20-17(12)13)15(18)11-19-14-8-3-2-4-9-14/h2-10,15H,11,18H2,1H3
InChIKeyOZNMARXSSYKCMZ-UHFFFAOYSA-N
XLogP3.82
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
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)propan-1-amine
CID 65440950
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 43096132
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 105184741
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine (CID 114728378) is 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine is Cc1cccc2cc(C(N)COc3ccccc3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine?
The InChIKey is OZNMARXSSYKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-6-5-7-13-10-16(20-17(12)13)15(18)11-19-14-8-3-2-4-9-14/h2-10,15H,11,18H2,1H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine?
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.82, 4 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)-2-phenoxyethanamine is sourced from PubChem (CID 114728378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).