(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine

C16H21NO2 — CID 62919680

IUPAC(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cc(C)oc2C)c1
InChIInChI=1S/C16H21NO2/c1-4-8-18-14-7-5-6-13(10-14)16(17)15-9-11(2)19-12(15)3/h5-7,9-10,16H,4,8,17H2,1-3H3
InChIKeyUNJIUPKQRKZNLP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.73
Rot. Bonds5

About (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine

(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine (PubChem CID 62919680) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
PubChem CID62919680
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cc(C)oc2C)c1
InChIInChI=1S/C16H21NO2/c1-4-8-18-14-7-5-6-13(10-14)16(17)15-9-11(2)19-12(15)3/h5-7,9-10,16H,4,8,17H2,1-3H3
InChIKeyUNJIUPKQRKZNLP-UHFFFAOYSA-N
XLogP3.73
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
2,3-dihydrofuran-5-yl-(3-propoxyphenyl)methanamine
CID 102653139
(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
CID 43384416
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 62921378
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine (CID 62919680) is (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2cc(C)oc2C)c1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine?
The InChIKey is UNJIUPKQRKZNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-8-18-14-7-5-6-13(10-14)16(17)15-9-11(2)19-12(15)3/h5-7,9-10,16H,4,8,17H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine?
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 62919680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).