(3-fluoro-5-iodo-4-methoxyphenyl)methanamine

C8H9FINO — CID 171010748

IUPAC(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
SMILESCOc1c(F)cc(CN)cc1I
InChIInChI=1S/C8H9FINO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3
InChIKeyFPVPTFNRWNZARX-UHFFFAOYSA-N
MW281.07 g/mol
LogP1.90
Rot. Bonds2

About (3-fluoro-5-iodo-4-methoxyphenyl)methanamine

(3-fluoro-5-iodo-4-methoxyphenyl)methanamine (PubChem CID 171010748) has the molecular formula C8H9FINO and a molecular weight of 281.07 g/mol. Its IUPAC name is (3-fluoro-5-iodo-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
PubChem CID171010748
Molecular FormulaC8H9FINO
Molecular Weight281.07 g/mol
Exact Mass280.97
IUPAC Name(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
SMILESCOc1c(F)cc(CN)cc1I
InChIInChI=1S/C8H9FINO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3
InChIKeyFPVPTFNRWNZARX-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 51.90
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

(3-fluoro-4-methoxy-5-nitrophenyl)methanamine
CID 82506050
1,3-difluoro-5-iodo-2,4-dimethoxybenzene
CID 50998225
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
[3,5-difluoro-4-(2-methylbutan-2-yloxy)phenyl]methanamine
CID 81293219
[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
CID 118818993
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide
CID 67241815
(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-iodo-4-methoxyphenyl)methanamine?
The IUPAC name of (3-fluoro-5-iodo-4-methoxyphenyl)methanamine (CID 171010748) is (3-fluoro-5-iodo-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-fluoro-5-iodo-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-fluoro-5-iodo-4-methoxyphenyl)methanamine is COc1c(F)cc(CN)cc1I.
What is the InChIKey of (3-fluoro-5-iodo-4-methoxyphenyl)methanamine?
The InChIKey is FPVPTFNRWNZARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FINO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3.
What are the key properties of (3-fluoro-5-iodo-4-methoxyphenyl)methanamine?
(3-fluoro-5-iodo-4-methoxyphenyl)methanamine has a molecular weight of 281.07 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-iodo-4-methoxyphenyl)methanamine is sourced from PubChem (CID 171010748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).