2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine

C11H11ClN2O — CID 103756524

IUPAC2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
SMILESCN(Cc1ccoc1)c1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-14(7-9-3-5-15-8-9)10-2-4-13-11(12)6-10/h2-6,8H,7H2,1H3
InChIKeyUUXNNIRWWPPWSG-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine

2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine (PubChem CID 103756524) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
PubChem CID103756524
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
SMILESCN(Cc1ccoc1)c1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-14(7-9-3-5-15-8-9)10-2-4-13-11(12)6-10/h2-6,8H,7H2,1H3
InChIKeyUUXNNIRWWPPWSG-UHFFFAOYSA-N
XLogP2.96
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine
CID 136512199
2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 62341687
2-chloro-4-[furan-3-ylmethyl(methyl)amino]benzonitrile
CID 55154145
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
CID 61422599
[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61422350
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
2-fluoro-4-[furan-3-ylmethyl(methyl)amino]benzoic acid
CID 115485376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine (CID 103756524) is 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine is CN(Cc1ccoc1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine?
The InChIKey is UUXNNIRWWPPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14(7-9-3-5-15-8-9)10-2-4-13-11(12)6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine?
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine has a molecular weight of 222.68 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 103756524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).