N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine

C17H23NO3 — CID 62456496

IUPACN-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCc2ccc(OC)cc2)o1
InChIInChI=1S/C17H23NO3/c1-3-10-18-11-16-8-9-17(21-16)13-20-12-14-4-6-15(19-2)7-5-14/h4-9,18H,3,10-13H2,1-2H3
InChIKeyMOOSCNOUVXORKY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.50
Rot. Bonds9

About N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62456496) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62456496
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCc2ccc(OC)cc2)o1
InChIInChI=1S/C17H23NO3/c1-3-10-18-11-16-8-9-17(21-16)13-20-12-14-4-6-15(19-2)7-5-14/h4-9,18H,3,10-13H2,1-2H3
InChIKeyMOOSCNOUVXORKY-UHFFFAOYSA-N
XLogP3.50
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.50
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-[(5-ethylfuran-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 62347378
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55077409
N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138306
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
CID 12655820
5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242815
N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888520
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 55077107
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine (CID 62456496) is N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCc2ccc(OC)cc2)o1.
What is the InChIKey of N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is MOOSCNOUVXORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-10-18-11-16-8-9-17(21-16)13-20-12-14-4-6-15(19-2)7-5-14/h4-9,18H,3,10-13H2,1-2H3.
What are the key properties of N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62456496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).