N-(furan-3-ylmethyl)-2-methoxyethanamine

C8H13NO2 — CID 62544942

IUPACN-(furan-3-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCc1ccoc1
InChIInChI=1S/C8H13NO2/c1-10-5-3-9-6-8-2-4-11-7-8/h2,4,7,9H,3,5-6H2,1H3
InChIKeyVRDCMOSNKJTOCR-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.02
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-methoxyethanamine

N-(furan-3-ylmethyl)-2-methoxyethanamine (PubChem CID 62544942) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methoxyethanamine
PubChem CID62544942
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(furan-3-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCc1ccoc1
InChIInChI=1S/C8H13NO2/c1-10-5-3-9-6-8-2-4-11-7-8/h2,4,7,9H,3,5-6H2,1H3
InChIKeyVRDCMOSNKJTOCR-UHFFFAOYSA-N
XLogP1.02
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5Z,8Z,11Z,14Z)-N-(3-Furanylmethyl)-5,8,11,14-eicosatetraenamide
CID 10199993
N-Cyclohexyl-3-furanmethanamine
CID 828980
1-(Furan-3-yl)methanamine
CID 2776197
Furan-3-ylmethyl-icosa-5,8,11,14-tetraenyl-amine
CID 11057719
N-Ethylfuran-3-carboxamide
CID 23273419
N-Methyl-3-carboxamido-furan
CID 10953497
1-(Furan-3-yl)methanamine hydrochloride
CID 2795087
Ethyl((furan-3-yl)methyl)amine
CID 23383580
N-(3-hydroxypropyl)furan-3-carboxamide
CID 16729503
1-(Furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51084514
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)methanesulfonamide
CID 71803996
3-Cyclopentyl-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 71804033

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-methoxyethanamine (CID 62544942) is N-(furan-3-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methoxyethanamine is COCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methoxyethanamine?
The InChIKey is VRDCMOSNKJTOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-5-3-9-6-8-2-4-11-7-8/h2,4,7,9H,3,5-6H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-2-methoxyethanamine?
N-(furan-3-ylmethyl)-2-methoxyethanamine has a molecular weight of 155.20 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 62544942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).