N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine

C12H21NO3 — CID 62570789

IUPACN-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCC(C)OCCOCCNCc1ccoc1
InChIInChI=1S/C12H21NO3/c1-11(2)16-8-7-14-6-4-13-9-12-3-5-15-10-12/h3,5,10-11,13H,4,6-9H2,1-2H3
InChIKeyCCOKMIRCYRTYBV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.81
Rot. Bonds9

About N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine

N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine (PubChem CID 62570789) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine
PubChem CID62570789
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCC(C)OCCOCCNCc1ccoc1
InChIInChI=1S/C12H21NO3/c1-11(2)16-8-7-14-6-4-13-9-12-3-5-15-10-12/h3,5,10-11,13H,4,6-9H2,1-2H3
InChIKeyCCOKMIRCYRTYBV-UHFFFAOYSA-N
XLogP1.81
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclohexyl-3-furanmethanamine
CID 828980
Furan-3-ylmethyl-icosa-5,8,11,14-tetraenyl-amine
CID 11057719
Ethyl((furan-3-yl)methyl)amine
CID 23383580
2-ethoxyethyl (Z)-2-cyano-3-(furan-3-ylmethylamino)but-2-enoate
CID 16127252
(4aS,7aR)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 97377544
N~1~-[(Furan-3-yl)methyl]ethane-1,2-diamine
CID 62560945
1-(furan-3-yl)-N-methylmethanamine
CID 13112617
[(Furan-3-yl)methyl](2-methylpropyl)amine hydrochloride
CID 167715635
N-(3-furylmethyl)-2-methoxyethanamine
CID 62544942
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)pivalamide
CID 71803923
N-ethyl-N-(furan-3-ylmethyl)ethanamine
CID 54164025
N'-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]-N-(3-furylmethyl)-N-methylurea
CID 122571277

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine (CID 62570789) is N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine is CC(C)OCCOCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
The InChIKey is CCOKMIRCYRTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2)16-8-7-14-6-4-13-9-12-3-5-15-10-12/h3,5,10-11,13H,4,6-9H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine has a molecular weight of 227.30 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-(2-propan-2-yloxyethoxy)ethanamine is sourced from PubChem (CID 62570789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).