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

C8H13NO — CID 16768211

IUPAC1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)N)c(C)o1
InChIInChI=1S/C8H13NO/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3
InChIKeyMTHKKBLSINVYHP-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.92
Rot. Bonds1

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

1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 16768211) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID16768211
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)N)c(C)o1
InChIInChI=1S/C8H13NO/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3
InChIKeyMTHKKBLSINVYHP-UHFFFAOYSA-N
XLogP1.92
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-Dimethylfuran-3-yl)methanamine
CID 2776162
Cyclafuramid
CID 93178
1-(Furan-3-yl)ethanamine
CID 11804704
N-[1-(2,5-dimethyl-3-furyl)ethyl]-N-hydroxyurea
CID 10535951
1-(2-Methylfuran-3-yl)methanamine
CID 18525866
2,5-Dimethyl-3-furamide
CID 4559414
(4,5-Dimethylfuran-2-yl)methanamine
CID 15563821
(5-Methylfuran-3-yl)methanamine
CID 55288815
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47081567
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide
CID 56765534
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide
CID 56765536
N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 18712273

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)ethanamine (CID 16768211) is 1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(C)N)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is MTHKKBLSINVYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)ethanamine?
1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 1.92, 1 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)ethanamine is sourced from PubChem (CID 16768211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).