1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine

C11H11ClN2O — CID 105146775

IUPAC1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccncc1Cl
InChIInChI=1S/C11H11ClN2O/c1-13-11(8-3-5-15-7-8)9-2-4-14-6-10(9)12/h2-7,11,13H,1H3
InChIKeyDCFWUNUDGAHPQH-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.64
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine

1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 105146775) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
PubChem CID105146775
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccncc1Cl
InChIInChI=1S/C11H11ClN2O/c1-13-11(8-3-5-15-7-8)9-2-4-14-6-10(9)12/h2-7,11,13H,1H3
InChIKeyDCFWUNUDGAHPQH-UHFFFAOYSA-N
XLogP2.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 79597508
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107332001
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 105148183
1-(furan-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105146777
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105145337
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
CID 105146074

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine (CID 105146775) is 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine is CNC(c1ccoc1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is DCFWUNUDGAHPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-13-11(8-3-5-15-7-8)9-2-4-14-6-10(9)12/h2-7,11,13H,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine?
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 222.68 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105146775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).