3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline

C14H15IN2O — CID 114936508

IUPAC3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2ccc(C)c(I)c2)cn1
InChIInChI=1S/C14H15IN2O/c1-10-3-5-12(7-13(10)15)16-8-11-4-6-14(18-2)17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyBFEIRWDSJSYJDO-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.62
Rot. Bonds4

About 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline

3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline (PubChem CID 114936508) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
PubChem CID114936508
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Name3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2ccc(C)c(I)c2)cn1
InChIInChI=1S/C14H15IN2O/c1-10-3-5-12(7-13(10)15)16-8-11-4-6-14(18-2)17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyBFEIRWDSJSYJDO-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
CID 47279209
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
3-iodo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43230338
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
2-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107276326
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114936305
N-[(3-bromo-4-methylphenyl)methyl]-3-iodo-4-methylaniline
CID 105401249
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
The IUPAC name of 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline (CID 114936508) is 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline.
What is the SMILES notation for 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
The canonical SMILES for 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline is COc1ccc(CNc2ccc(C)c(I)c2)cn1.
What is the InChIKey of 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
The InChIKey is BFEIRWDSJSYJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-10-3-5-12(7-13(10)15)16-8-11-4-6-14(18-2)17-9-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline?
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline has a molecular weight of 354.19 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline is sourced from PubChem (CID 114936508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).