4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine

C14H23ClN2O — CID 66089924

IUPAC4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
SMILESCOc1c(C)cnc(CNCC(C)CCCl)c1C
InChIInChI=1S/C14H23ClN2O/c1-10(5-6-15)7-16-9-13-12(3)14(18-4)11(2)8-17-13/h8,10,16H,5-7,9H2,1-4H3
InChIKeyZSYBSWJCMWJQOU-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.06
Rot. Bonds7

About 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine

4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine (PubChem CID 66089924) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
PubChem CID66089924
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
SMILESCOc1c(C)cnc(CNCC(C)CCCl)c1C
InChIInChI=1S/C14H23ClN2O/c1-10(5-6-15)7-16-9-13-12(3)14(18-4)11(2)8-17-13/h8,10,16H,5-7,9H2,1-4H3
InChIKeyZSYBSWJCMWJQOU-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine with MolForge

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Related Compounds

3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-2-amine
CID 83188547
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
3-chloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 106242426
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28568814
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine
CID 64665639
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
1-[3-(chloromethyl)phenyl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 65024867
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66180990
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
CID 103969062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine (CID 66089924) is 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine is COc1c(C)cnc(CNCC(C)CCCl)c1C.
What is the InChIKey of 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine?
The InChIKey is ZSYBSWJCMWJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-10(5-6-15)7-16-9-13-12(3)14(18-4)11(2)8-17-13/h8,10,16H,5-7,9H2,1-4H3.
What are the key properties of 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine?
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine has a molecular weight of 270.80 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 66089924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).