(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine

C16H17NO2 — CID 63326667

IUPAC(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3cc(C)oc3C)cc2c1
InChIInChI=1S/C16H17NO2/c1-9-4-5-14-12(6-9)8-15(19-14)16(17)13-7-10(2)18-11(13)3/h4-8,16H,17H2,1-3H3
InChIKeyDSCLADVRGONVOU-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.00
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine

(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 63326667) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID63326667
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3cc(C)oc3C)cc2c1
InChIInChI=1S/C16H17NO2/c1-9-4-5-14-12(6-9)8-15(19-14)16(17)13-7-10(2)18-11(13)3/h4-8,16H,17H2,1-3H3
InChIKeyDSCLADVRGONVOU-UHFFFAOYSA-N
XLogP4.00
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(2-bromo-3,4-difluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107538891
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045167
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993046

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 63326667) is (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3cc(C)oc3C)cc2c1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is DSCLADVRGONVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-4-5-14-12(6-9)8-15(19-14)16(17)13-7-10(2)18-11(13)3/h4-8,16H,17H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 4.00, 2 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)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 63326667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).