N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine

C13H16N2O — CID 115651235

IUPACN-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1ccoc1CNCCc1ccccn1
InChIInChI=1S/C13H16N2O/c1-11-6-9-16-13(11)10-14-8-5-12-4-2-3-7-15-12/h2-4,6-7,9,14H,5,8,10H2,1H3
InChIKeyNPZTUDUHPIDFBP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.32
Rot. Bonds5

About N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine

N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 115651235) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID115651235
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1ccoc1CNCCc1ccccn1
InChIInChI=1S/C13H16N2O/c1-11-6-9-16-13(11)10-14-8-5-12-4-2-3-7-15-12/h2-4,6-7,9,14H,5,8,10H2,1H3
InChIKeyNPZTUDUHPIDFBP-UHFFFAOYSA-N
XLogP2.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 107042048
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
CID 106400344
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53272207

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine (CID 115651235) is N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine is Cc1ccoc1CNCCc1ccccn1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is NPZTUDUHPIDFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-6-9-16-13(11)10-14-8-5-12-4-2-3-7-15-12/h2-4,6-7,9,14H,5,8,10H2,1H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine?
N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 115651235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).