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

C16H21NO2 — CID 62452561

IUPACN-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2ccccc2C)o1
InChIInChI=1S/C16H21NO2/c1-3-10-17-11-14-8-9-15(19-14)12-18-16-7-5-4-6-13(16)2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyWWZZAZNXEWKYEJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.67
Rot. Bonds7

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

N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62452561) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62452561
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2ccccc2C)o1
InChIInChI=1S/C16H21NO2/c1-3-10-17-11-14-8-9-15(19-14)12-18-16-7-5-4-6-13(16)2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyWWZZAZNXEWKYEJ-UHFFFAOYSA-N
XLogP3.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.67
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

N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
N-[[4-[(2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62452911
N-[[5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63491815
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422739
N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 107661111
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 55077107
N-[[4-[(2,3-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62453502
N-[[5-[(2,3-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454363
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (CID 62452561) is N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COc2ccccc2C)o1.
What is the InChIKey of N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is WWZZAZNXEWKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-10-17-11-14-8-9-15(19-14)12-18-16-7-5-4-6-13(16)2/h4-9,17H,3,10-12H2,1-2H3.
What are the key properties of N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62452561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).