[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine

C15H19NO2 — CID 62484441

IUPAC[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1ccc(C)c(OCc2ccc(CN)o2)c1C
InChIInChI=1S/C15H19NO2/c1-10-4-5-11(2)15(12(10)3)17-9-14-7-6-13(8-16)18-14/h4-7H,8-9,16H2,1-3H3
InChIKeyICAZXEFEGQCSAB-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.24
Rot. Bonds4

About [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine

[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62484441) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62484441
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1ccc(C)c(OCc2ccc(CN)o2)c1C
InChIInChI=1S/C15H19NO2/c1-10-4-5-11(2)15(12(10)3)17-9-14-7-6-13(8-16)18-14/h4-7H,8-9,16H2,1-3H3
InChIKeyICAZXEFEGQCSAB-UHFFFAOYSA-N
XLogP3.24
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.24
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
[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62451638
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82302885
[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788
[5-[(6-methyl-3-pyridinyl)oxymethyl]furan-2-yl]methanamine
CID 62442016
[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454908
4-chloro-2-[(2,3,6-trimethylphenoxy)methyl]aniline
CID 79582428
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine (CID 62484441) is [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine is Cc1ccc(C)c(OCc2ccc(CN)o2)c1C.
What is the InChIKey of [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is ICAZXEFEGQCSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-4-5-11(2)15(12(10)3)17-9-14-7-6-13(8-16)18-14/h4-7H,8-9,16H2,1-3H3.
What are the key properties of [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 245.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62484441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).