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

C17H23NO2 — CID 62453245

IUPACN-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2cccc(C)c2)oc1C
InChIInChI=1S/C17H23NO2/c1-4-8-18-11-15-10-17(20-14(15)3)12-19-16-7-5-6-13(2)9-16/h5-7,9-10,18H,4,8,11-12H2,1-3H3
InChIKeyYLNFIOZVWPBBOZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.98
Rot. Bonds7

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

N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62453245) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62453245
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2cccc(C)c2)oc1C
InChIInChI=1S/C17H23NO2/c1-4-8-18-11-15-10-17(20-14(15)3)12-19-16-7-5-6-13(2)9-16/h5-7,9-10,18H,4,8,11-12H2,1-3H3
InChIKeyYLNFIOZVWPBBOZ-UHFFFAOYSA-N
XLogP3.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.98
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

2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
N-[[5-[(4-chloro-3-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63490768
N-[[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454511
N-[[2-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62441237
N-[[5-[(2,3-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454363
N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63036291
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 102986614
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63496240
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (CID 62453245) is N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1cc(COc2cccc(C)c2)oc1C.
What is the InChIKey of N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is YLNFIOZVWPBBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-8-18-11-15-10-17(20-14(15)3)12-19-16-7-5-6-13(2)9-16/h5-7,9-10,18H,4,8,11-12H2,1-3H3.
What are the key properties of N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62453245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).