(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine

C14H13FIN — CID 115852651

IUPAC(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cccc(I)c2)c1
InChIInChI=1S/C14H13FIN/c1-9-5-6-13(15)12(7-9)14(17)10-3-2-4-11(16)8-10/h2-8,14H,17H2,1H3
InChIKeyWOQIVKZOEVPCNZ-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.79
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine

(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine (PubChem CID 115852651) has the molecular formula C14H13FIN and a molecular weight of 341.17 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
PubChem CID115852651
Molecular FormulaC14H13FIN
Molecular Weight341.17 g/mol
Exact Mass341.01
IUPAC Name(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cccc(I)c2)c1
InChIInChI=1S/C14H13FIN/c1-9-5-6-13(15)12(7-9)14(17)10-3-2-4-11(16)8-10/h2-8,14H,17H2,1H3
InChIKeyWOQIVKZOEVPCNZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990382
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
(2-fluoro-5-methylphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 55221688
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine (CID 115852651) is (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine is Cc1ccc(F)c(C(N)c2cccc(I)c2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine?
The InChIKey is WOQIVKZOEVPCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FIN/c1-9-5-6-13(15)12(7-9)14(17)10-3-2-4-11(16)8-10/h2-8,14H,17H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine?
(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine has a molecular weight of 341.17 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine is sourced from PubChem (CID 115852651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).