2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine

C13H17N3O — CID 79245146

IUPAC2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
SMILESCCN(Cc1cc(N)ccn1)Cc1ccco1
InChIInChI=1S/C13H17N3O/c1-2-16(10-13-4-3-7-17-13)9-12-8-11(14)5-6-15-12/h3-8H,2,9-10H2,1H3,(H2,14,15)
InChIKeySDLINEYOJUSETM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.28
Rot. Bonds5

About 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine

2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine (PubChem CID 79245146) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
PubChem CID79245146
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
SMILESCCN(Cc1cc(N)ccn1)Cc1ccco1
InChIInChI=1S/C13H17N3O/c1-2-16(10-13-4-3-7-17-13)9-12-8-11(14)5-6-15-12/h3-8H,2,9-10H2,1H3,(H2,14,15)
InChIKeySDLINEYOJUSETM-UHFFFAOYSA-N
XLogP2.28
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline
CID 61423541
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722
N-(furan-2-ylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62462824
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62918891
N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 71426063
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine?
The IUPAC name of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine (CID 79245146) is 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine?
The canonical SMILES for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine is CCN(Cc1cc(N)ccn1)Cc1ccco1.
What is the InChIKey of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine?
The InChIKey is SDLINEYOJUSETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16(10-13-4-3-7-17-13)9-12-8-11(14)5-6-15-12/h3-8H,2,9-10H2,1H3,(H2,14,15).
What are the key properties of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine?
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79245146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).