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

C16H21NO3 — CID 62449992

IUPAC[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
SMILESCCCOc1ccccc1OCc1cc(CN)oc1C
InChIInChI=1S/C16H21NO3/c1-3-8-18-15-6-4-5-7-16(15)19-11-13-9-14(10-17)20-12(13)2/h4-7,9H,3,8,10-11,17H2,1-2H3
InChIKeyFYYGQKDJBBUGRZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.41
Rot. Bonds7

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

[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62449992) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62449992
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
SMILESCCCOc1ccccc1OCc1cc(CN)oc1C
InChIInChI=1S/C16H21NO3/c1-3-8-18-15-6-4-5-7-16(15)19-11-13-9-14(10-17)20-12(13)2/h4-7,9H,3,8,10-11,17H2,1-2H3
InChIKeyFYYGQKDJBBUGRZ-UHFFFAOYSA-N
XLogP3.41
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62454744
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62452684
2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
CID 43477195
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 107661009
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62459784

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine (CID 62449992) is [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine is CCCOc1ccccc1OCc1cc(CN)oc1C.
What is the InChIKey of [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is FYYGQKDJBBUGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-8-18-15-6-4-5-7-16(15)19-11-13-9-14(10-17)20-12(13)2/h4-7,9H,3,8,10-11,17H2,1-2H3.
What are the key properties of [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine?
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62449992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).