N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine

C17H23NO3 — CID 62449573

IUPACN-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(COc2ccc(C)cc2OC)c1
InChIInChI=1S/C17H23NO3/c1-4-7-18-10-14-9-15(20-11-14)12-21-16-6-5-13(2)8-17(16)19-3/h5-6,8-9,11,18H,4,7,10,12H2,1-3H3
InChIKeyHSLBLUULFWVMPP-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.68
Rot. Bonds8

About N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine

N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62449573) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62449573
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(COc2ccc(C)cc2OC)c1
InChIInChI=1S/C17H23NO3/c1-4-7-18-10-14-9-15(20-11-14)12-21-16-6-5-13(2)8-17(16)19-3/h5-6,8-9,11,18H,4,7,10,12H2,1-3H3
InChIKeyHSLBLUULFWVMPP-UHFFFAOYSA-N
XLogP3.68
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.68
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

1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107668479
N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62449938
N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62296337
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62454677
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4719473
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62460696
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62453045
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17293936
N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 64855274

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (CID 62449573) is N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(COc2ccc(C)cc2OC)c1.
What is the InChIKey of N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is HSLBLUULFWVMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-7-18-10-14-9-15(20-11-14)12-21-16-6-5-13(2)8-17(16)19-3/h5-6,8-9,11,18H,4,7,10,12H2,1-3H3.
What are the key properties of N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62449573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).