4-(4-fluoro-2-iodophenyl)butan-2-amine

C10H13FIN — CID 130054391

IUPAC4-(4-fluoro-2-iodophenyl)butan-2-amine
SMILESCC(N)CCc1ccc(F)cc1I
InChIInChI=1S/C10H13FIN/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-7H,2-3,13H2,1H3
InChIKeyYVHBZLNCBXRVKX-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.71
Rot. Bonds3

About 4-(4-fluoro-2-iodophenyl)butan-2-amine

4-(4-fluoro-2-iodophenyl)butan-2-amine (PubChem CID 130054391) has the molecular formula C10H13FIN and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-(4-fluoro-2-iodophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-iodophenyl)butan-2-amine
PubChem CID130054391
Molecular FormulaC10H13FIN
Molecular Weight293.12 g/mol
Exact Mass293.01
IUPAC Name4-(4-fluoro-2-iodophenyl)butan-2-amine
SMILESCC(N)CCc1ccc(F)cc1I
InChIInChI=1S/C10H13FIN/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-7H,2-3,13H2,1H3
InChIKeyYVHBZLNCBXRVKX-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.71
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

2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
4-(2-fluoro-4-iodophenyl)butan-2-amine
CID 130053939
CID 155601387
CID 155601387
(4-fluoro-2-iodophenyl)methanamine
CID 21069911
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
2-(3-aminobutyl)-4,5-difluorophenol
CID 141202950
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(2-aminopropyl)-5-fluorophenol
CID 83695312

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-iodophenyl)butan-2-amine?
The IUPAC name of 4-(4-fluoro-2-iodophenyl)butan-2-amine (CID 130054391) is 4-(4-fluoro-2-iodophenyl)butan-2-amine.
What is the SMILES notation for 4-(4-fluoro-2-iodophenyl)butan-2-amine?
The canonical SMILES for 4-(4-fluoro-2-iodophenyl)butan-2-amine is CC(N)CCc1ccc(F)cc1I.
What is the InChIKey of 4-(4-fluoro-2-iodophenyl)butan-2-amine?
The InChIKey is YVHBZLNCBXRVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FIN/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-7H,2-3,13H2,1H3.
What are the key properties of 4-(4-fluoro-2-iodophenyl)butan-2-amine?
4-(4-fluoro-2-iodophenyl)butan-2-amine has a molecular weight of 293.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-iodophenyl)butan-2-amine is sourced from PubChem (CID 130054391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).