[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine

C18H25NO2 — CID 62486073

IUPAC[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1OCc1cc(CN)c(C)o1
InChIInChI=1S/C18H25NO2/c1-12-8-15(18(3,4)5)6-7-17(12)20-11-16-9-14(10-19)13(2)21-16/h6-9H,10-11,19H2,1-5H3
InChIKeyFINLSCPXPIIUGV-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.23
Rot. Bonds4

About [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine

[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine (PubChem CID 62486073) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
PubChem CID62486073
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1OCc1cc(CN)c(C)o1
InChIInChI=1S/C18H25NO2/c1-12-8-15(18(3,4)5)6-7-17(12)20-11-16-9-14(10-19)13(2)21-16/h6-9H,10-11,19H2,1-5H3
InChIKeyFINLSCPXPIIUGV-UHFFFAOYSA-N
XLogP4.23
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine with MolForge

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Related Compounds

[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62460326
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 62441296
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
[2-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-3-yl]methanamine
CID 62452165
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
N-[[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454511
[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62452684
[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine
CID 62452781
[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
CID 63456905
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine (CID 62486073) is [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine is Cc1cc(C(C)(C)C)ccc1OCc1cc(CN)c(C)o1.
What is the InChIKey of [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is FINLSCPXPIIUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-8-15(18(3,4)5)6-7-17(12)20-11-16-9-14(10-19)13(2)21-16/h6-9H,10-11,19H2,1-5H3.
What are the key properties of [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 62486073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).