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

C15H19NO2 — CID 62452684

IUPAC[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1ccc(C)c(OCc2cc(CN)oc2C)c1
InChIInChI=1S/C15H19NO2/c1-10-4-5-11(2)15(6-10)17-9-13-7-14(8-16)18-12(13)3/h4-7H,8-9,16H2,1-3H3
InChIKeyIMJDQRADPFIOCH-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.24
Rot. Bonds4

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

[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine (PubChem CID 62452684) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
PubChem CID62452684
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1ccc(C)c(OCc2cc(CN)oc2C)c1
InChIInChI=1S/C15H19NO2/c1-10-4-5-11(2)15(6-10)17-9-13-7-14(8-16)18-12(13)3/h4-7H,8-9,16H2,1-3H3
InChIKeyIMJDQRADPFIOCH-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

1-[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62453040
[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62454744
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992
[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 107661009
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
(2,5-dimethylphenoxy)methanamine
CID 89376053
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477171
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine (CID 62452684) is [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine is Cc1ccc(C)c(OCc2cc(CN)oc2C)c1.
What is the InChIKey of [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine?
The InChIKey is IMJDQRADPFIOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-4-5-11(2)15(6-10)17-9-13-7-14(8-16)18-12(13)3/h4-7H,8-9,16H2,1-3H3.
What are the key properties of [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine?
[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-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 [4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62452684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).