[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine

C15H19NO2 — CID 82085819

IUPAC[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(C)c(OCc2ccc(CN)o2)c(C)c1
InChIInChI=1S/C15H19NO2/c1-10-6-11(2)15(12(3)7-10)17-9-14-5-4-13(8-16)18-14/h4-7H,8-9,16H2,1-3H3
InChIKeyPQFOYIUNIOMKOU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.24
Rot. Bonds4

About [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine

[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 82085819) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID82085819
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(C)c(OCc2ccc(CN)o2)c(C)c1
InChIInChI=1S/C15H19NO2/c1-10-6-11(2)15(12(3)7-10)17-9-14-5-4-13(8-16)18-14/h4-7H,8-9,16H2,1-3H3
InChIKeyPQFOYIUNIOMKOU-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

N'-[2-(2,4-dimethylphenoxy)acetyl]-2-furohydrazide
CID 876401
(5-Methyl-1-benzofuran-2-yl)methanamine
CID 45122674
(3-{[(Furan-2-yl)methoxy]methyl}phenyl)methanamine
CID 16784344
7-(cyclohexen-1-yl)-4-[[5-(methoxymethyl)furan-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 42192350
5-(4-Methoxyphenyl)furan-2-carboxamide
CID 2753223
5-[(2-Cyanophenoxy)methyl]furan-2-carboxamide
CID 47319694
[2-Fluoro-3-[2-(methoxymethyl)-5-(prop-1-en-2-yloxymethyl)-1-benzofuran-7-yl]phenyl]methanamine
CID 139576559
1-(Furan-2-yl)-N-(2-methoxy-5-methylbenzyl)methanamine
CID 8851190
2-(2,4-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 774442
2-Aminomethyl-5-benzoylfuran
CID 82076464
1-[5-(Phenylmethoxymethyl)furan-2-yl]propan-1-amine
CID 132524431
[4-Fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methanamine
CID 20117845

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine (CID 82085819) is [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine is Cc1cc(C)c(OCc2ccc(CN)o2)c(C)c1.
What is the InChIKey of [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is PQFOYIUNIOMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-6-11(2)15(12(3)7-10)17-9-14-5-4-13(8-16)18-14/h4-7H,8-9,16H2,1-3H3.
What are the key properties of [5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine?
[5-[(2,4,6-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-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 82085819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).