(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine

C13H13IN2O — CID 83123599

IUPAC(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(Oc2cccc(I)c2)cn1
InChIInChI=1S/C13H13IN2O/c1-9(15)13-6-5-12(8-16-13)17-11-4-2-3-10(14)7-11/h2-9H,15H2,1H3/t9-/m0/s1
InChIKeyXGKMVZLOBMNAHV-VIFPVBQESA-N
MW340.16 g/mol
LogP3.50
Rot. Bonds3

About (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine

(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83123599) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
PubChem CID83123599
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(Oc2cccc(I)c2)cn1
InChIInChI=1S/C13H13IN2O/c1-9(15)13-6-5-12(8-16-13)17-11-4-2-3-10(14)7-11/h2-9H,15H2,1H3/t9-/m0/s1
InChIKeyXGKMVZLOBMNAHV-VIFPVBQESA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.50
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

(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697
3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
CID 83127679
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
(1S)-1-(5-quinolin-7-yloxy-2-pyridinyl)ethanamine
CID 107313875
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
CID 83123923
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
CID 83123833

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine (CID 83123599) is (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(Oc2cccc(I)c2)cn1.
What is the InChIKey of (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is XGKMVZLOBMNAHV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13IN2O/c1-9(15)13-6-5-12(8-16-13)17-11-4-2-3-10(14)7-11/h2-9H,15H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 340.16 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).