(2-chloro-5-iodo-4-methoxyphenyl)methanamine

C8H9ClINO — CID 171021193

IUPAC(2-chloro-5-iodo-4-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(CN)cc1I
InChIInChI=1S/C8H9ClINO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,4,11H2,1H3
InChIKeyBWLCDKOYDXTASS-UHFFFAOYSA-N
MW297.52 g/mol
LogP2.41
Rot. Bonds2

About (2-chloro-5-iodo-4-methoxyphenyl)methanamine

(2-chloro-5-iodo-4-methoxyphenyl)methanamine (PubChem CID 171021193) has the molecular formula C8H9ClINO and a molecular weight of 297.52 g/mol. Its IUPAC name is (2-chloro-5-iodo-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-iodo-4-methoxyphenyl)methanamine
PubChem CID171021193
Molecular FormulaC8H9ClINO
Molecular Weight297.52 g/mol
Exact Mass296.94
IUPAC Name(2-chloro-5-iodo-4-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(CN)cc1I
InChIInChI=1S/C8H9ClINO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,4,11H2,1H3
InChIKeyBWLCDKOYDXTASS-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
(5-chloro-4-iodo-2-methoxyphenyl)methanamine
CID 86775733
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-iodo-4-methoxyphenyl)methanamine?
The IUPAC name of (2-chloro-5-iodo-4-methoxyphenyl)methanamine (CID 171021193) is (2-chloro-5-iodo-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-5-iodo-4-methoxyphenyl)methanamine?
The canonical SMILES for (2-chloro-5-iodo-4-methoxyphenyl)methanamine is COc1cc(Cl)c(CN)cc1I.
What is the InChIKey of (2-chloro-5-iodo-4-methoxyphenyl)methanamine?
The InChIKey is BWLCDKOYDXTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClINO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,4,11H2,1H3.
What are the key properties of (2-chloro-5-iodo-4-methoxyphenyl)methanamine?
(2-chloro-5-iodo-4-methoxyphenyl)methanamine has a molecular weight of 297.52 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-iodo-4-methoxyphenyl)methanamine is sourced from PubChem (CID 171021193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).