1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C15H17IN2O — CID 43770459

IUPAC1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(I)cc2)cn1
InChIInChI=1S/C15H17IN2O/c1-11(13-4-6-14(16)7-5-13)17-9-12-3-8-15(19-2)18-10-12/h3-8,10-11,17H,9H2,1-2H3
InChIKeyFYNGDADCEQOBTL-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 43770459) has the molecular formula C15H17IN2O and a molecular weight of 368.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID43770459
Molecular FormulaC15H17IN2O
Molecular Weight368.22 g/mol
Exact Mass368.04
IUPAC Name1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(I)cc2)cn1
InChIInChI=1S/C15H17IN2O/c1-11(13-4-6-14(16)7-5-13)17-9-12-3-8-15(19-2)18-10-12/h3-8,10-11,17H,9H2,1-2H3
InChIKeyFYNGDADCEQOBTL-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.55
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

(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
N-[(6-methoxy-3-pyridinyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43206302
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
sodium;(1R)-N-[[6-[(6-fluoro-3-pyridinyl)methoxy]-3-pyridinyl]methyl]-1-phenylethanamine;methanolate;(1R)-N-[[6-[(6-methoxy-3-pyridinyl)methoxy]-3-pyridinyl]methyl]-1-phenylethanamine
CID 158134934
1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43206318
N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43770470

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 43770459) is 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNC(C)c2ccc(I)cc2)cn1.
What is the InChIKey of 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is FYNGDADCEQOBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O/c1-11(13-4-6-14(16)7-5-13)17-9-12-3-8-15(19-2)18-10-12/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 368.22 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 43770459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).