[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine

C14H17NO2 — CID 62452413

IUPAC[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1ccc(OCc2ccc(CN)o2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-10-3-6-14(11(2)7-10)16-9-13-5-4-12(8-15)17-13/h3-7H,8-9,15H2,1-2H3
InChIKeyQMVRABXBSSVMCZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.93
Rot. Bonds4

About [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine

[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62452413) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62452413
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1ccc(OCc2ccc(CN)o2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-10-3-6-14(11(2)7-10)16-9-13-5-4-12(8-15)17-13/h3-7H,8-9,15H2,1-2H3
InChIKeyQMVRABXBSSVMCZ-UHFFFAOYSA-N
XLogP2.93
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 82085819
[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62455058
N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838
2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62484441
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111663036
5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55996476
N-[[5-[(2,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452940
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 115402732

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine (CID 62452413) is [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine is Cc1ccc(OCc2ccc(CN)o2)c(C)c1.
What is the InChIKey of [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is QMVRABXBSSVMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-3-6-14(11(2)7-10)16-9-13-5-4-12(8-15)17-13/h3-7H,8-9,15H2,1-2H3.
What are the key properties of [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine?
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62452413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).