4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine

C15H17FIN3O — CID 66101267

IUPAC4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
SMILESCC(C)Oc1ncccc1CNc1cc(F)c(I)cc1N
InChIInChI=1S/C15H17FIN3O/c1-9(2)21-15-10(4-3-5-19-15)8-20-14-6-11(16)12(17)7-13(14)18/h3-7,9,20H,8,18H2,1-2H3
InChIKeyAYIRASRUPOZUNC-UHFFFAOYSA-N
MW401.22 g/mol
LogP3.81
Rot. Bonds5

About 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine

4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 66101267) has the molecular formula C15H17FIN3O and a molecular weight of 401.22 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID66101267
Molecular FormulaC15H17FIN3O
Molecular Weight401.22 g/mol
Exact Mass401.04
IUPAC Name4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
SMILESCC(C)Oc1ncccc1CNc1cc(F)c(I)cc1N
InChIInChI=1S/C15H17FIN3O/c1-9(2)21-15-10(4-3-5-19-15)8-20-14-6-11(16)12(17)7-13(14)18/h3-7,9,20H,8,18H2,1-2H3
InChIKeyAYIRASRUPOZUNC-UHFFFAOYSA-N
XLogP3.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 115468707
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
CID 61373121
5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66342116
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 66100905
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 102615560
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136974722
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine (CID 66101267) is 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine is CC(C)Oc1ncccc1CNc1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is AYIRASRUPOZUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FIN3O/c1-9(2)21-15-10(4-3-5-19-15)8-20-14-6-11(16)12(17)7-13(14)18/h3-7,9,20H,8,18H2,1-2H3.
What are the key properties of 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 401.22 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 66101267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).