1-(3-methylfuran-2-yl)-2-phenylethanamine

C13H15NO — CID 61078451

IUPAC1-(3-methylfuran-2-yl)-2-phenylethanamine
SMILESCc1ccoc1C(N)Cc1ccccc1
InChIInChI=1S/C13H15NO/c1-10-7-8-15-13(10)12(14)9-11-5-3-2-4-6-11/h2-8,12H,9,14H2,1H3
InChIKeyQAAONSFXWKSDHH-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.83
Rot. Bonds3

About 1-(3-methylfuran-2-yl)-2-phenylethanamine

1-(3-methylfuran-2-yl)-2-phenylethanamine (PubChem CID 61078451) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-2-phenylethanamine
PubChem CID61078451
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(3-methylfuran-2-yl)-2-phenylethanamine
SMILESCc1ccoc1C(N)Cc1ccccc1
InChIInChI=1S/C13H15NO/c1-10-7-8-15-13(10)12(14)9-11-5-3-2-4-6-11/h2-8,12H,9,14H2,1H3
InChIKeyQAAONSFXWKSDHH-UHFFFAOYSA-N
XLogP2.83
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077731
1-(3-methylfuran-2-yl)-2-phenylethanol
CID 63016431
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
1-(3-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079024
1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 104804388
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804281
2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804107
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
2-(1H-imidazol-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 43464742
1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
CID 104789711
1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104804449

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(3-methylfuran-2-yl)-2-phenylethanamine (CID 61078451) is 1-(3-methylfuran-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-2-phenylethanamine is Cc1ccoc1C(N)Cc1ccccc1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-2-phenylethanamine?
The InChIKey is QAAONSFXWKSDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-7-8-15-13(10)12(14)9-11-5-3-2-4-6-11/h2-8,12H,9,14H2,1H3.
What are the key properties of 1-(3-methylfuran-2-yl)-2-phenylethanamine?
1-(3-methylfuran-2-yl)-2-phenylethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-2-phenylethanamine is sourced from PubChem (CID 61078451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).