[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine

C12H14N2O2 — CID 62449563

IUPAC[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
SMILESCc1oc(COc2cccnc2)cc1CN
InChIInChI=1S/C12H14N2O2/c1-9-10(6-13)5-12(16-9)8-15-11-3-2-4-14-7-11/h2-5,7H,6,8,13H2,1H3
InChIKeyVBYSFZXTWZKAMW-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.02
Rot. Bonds4

About [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine

[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine (PubChem CID 62449563) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
PubChem CID62449563
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
SMILESCc1oc(COc2cccnc2)cc1CN
InChIInChI=1S/C12H14N2O2/c1-9-10(6-13)5-12(16-9)8-15-11-3-2-4-14-7-11/h2-5,7H,6,8,13H2,1H3
InChIKeyVBYSFZXTWZKAMW-UHFFFAOYSA-N
XLogP2.02
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-5-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107315020
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 62441296
[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
CID 116803596
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
2-methyl-4-(pyridin-3-yloxymethyl)aniline
CID 117220552
[2-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-3-yl]methanamine
CID 62452165
[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
CID 117183170
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62460326
[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62486073

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine?
The IUPAC name of [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine (CID 62449563) is [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine is Cc1oc(COc2cccnc2)cc1CN.
What is the InChIKey of [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine?
The InChIKey is VBYSFZXTWZKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-10(6-13)5-12(16-9)8-15-11-3-2-4-14-7-11/h2-5,7H,6,8,13H2,1H3.
What are the key properties of [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine?
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62449563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).