1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine

C15H16ClIN2O — CID 103216066

IUPAC1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C15H16ClIN2O/c1-3-20-12-6-11(8-19-9-12)15(18-2)10-4-5-14(17)13(16)7-10/h4-9,15,18H,3H2,1-2H3
InChIKeyPFKHQGJKIQFDJT-UHFFFAOYSA-N
MW402.66 g/mol
LogP4.05
Rot. Bonds5

About 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine

1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 103216066) has the molecular formula C15H16ClIN2O and a molecular weight of 402.66 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID103216066
Molecular FormulaC15H16ClIN2O
Molecular Weight402.66 g/mol
Exact Mass402.00
IUPAC Name1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C15H16ClIN2O/c1-3-20-12-6-11(8-19-9-12)15(18-2)10-4-5-14(17)13(16)7-10/h4-9,15,18H,3H2,1-2H3
InChIKeyPFKHQGJKIQFDJT-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.66
LogP ≤ 54.05
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

1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(2-bromo-4-ethoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220460
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 107994842
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319
1-(2,5-dichlorothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 107968897
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027547

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine (CID 103216066) is 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine is CCOc1cncc(C(NC)c2ccc(I)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is PFKHQGJKIQFDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2O/c1-3-20-12-6-11(8-19-9-12)15(18-2)10-4-5-14(17)13(16)7-10/h4-9,15,18H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 402.66 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 103216066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).