1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine

C13H15ClN2O — CID 61426881

IUPAC1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
SMILESCc1occc1CN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O/c1-10-12(5-6-17-10)9-16(2)8-11-3-4-13(14)15-7-11/h3-7H,8-9H2,1-2H3
InChIKeyGYWODZZXLZNVMV-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.27
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine

1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine (PubChem CID 61426881) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
PubChem CID61426881
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
SMILESCc1occc1CN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O/c1-10-12(5-6-17-10)9-16(2)8-11-3-4-13(14)15-7-11/h3-7H,8-9H2,1-2H3
InChIKeyGYWODZZXLZNVMV-UHFFFAOYSA-N
XLogP3.27
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.27
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

[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 79255424
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)-2-methylfuran-3-amine
CID 141191912
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
CID 62412365
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 71983484
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 63880713

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine (CID 61426881) is 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine is Cc1occc1CN(C)Cc1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The InChIKey is GYWODZZXLZNVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10-12(5-6-17-10)9-16(2)8-11-3-4-13(14)15-7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine has a molecular weight of 250.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine is sourced from PubChem (CID 61426881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).