1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine

C14H17NO — CID 61078450

IUPAC1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
SMILESCc1cc(C(N)Cc2ccccc2)c(C)o1
InChIInChI=1S/C14H17NO/c1-10-8-13(11(2)16-10)14(15)9-12-6-4-3-5-7-12/h3-8,14H,9,15H2,1-2H3
InChIKeyPAXHQQQLLPBXFN-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.14
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine

1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine (PubChem CID 61078450) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
PubChem CID61078450
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
SMILESCc1cc(C(N)Cc2ccccc2)c(C)o1
InChIInChI=1S/C14H17NO/c1-10-8-13(11(2)16-10)14(15)9-12-6-4-3-5-7-12/h3-8,14H,9,15H2,1-2H3
InChIKeyPAXHQQQLLPBXFN-UHFFFAOYSA-N
XLogP3.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43118536
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine (CID 61078450) is 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine is Cc1cc(C(N)Cc2ccccc2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine?
The InChIKey is PAXHQQQLLPBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-8-13(11(2)16-10)14(15)9-12-6-4-3-5-7-12/h3-8,14H,9,15H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine?
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine has a molecular weight of 215.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine is sourced from PubChem (CID 61078450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).