1-(4-fluoro-2-iodophenyl)propan-1-amine

C9H11FIN — CID 103846012

IUPAC1-(4-fluoro-2-iodophenyl)propan-1-amine
SMILESCCC(N)c1ccc(F)cc1I
InChIInChI=1S/C9H11FIN/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9H,2,12H2,1H3
InChIKeyPRMUMWKNBDGZIU-UHFFFAOYSA-N
MW279.10 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-fluoro-2-iodophenyl)propan-1-amine

1-(4-fluoro-2-iodophenyl)propan-1-amine (PubChem CID 103846012) has the molecular formula C9H11FIN and a molecular weight of 279.10 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)propan-1-amine
PubChem CID103846012
Molecular FormulaC9H11FIN
Molecular Weight279.10 g/mol
Exact Mass278.99
IUPAC Name1-(4-fluoro-2-iodophenyl)propan-1-amine
SMILESCCC(N)c1ccc(F)cc1I
InChIInChI=1S/C9H11FIN/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9H,2,12H2,1H3
InChIKeyPRMUMWKNBDGZIU-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 52.84
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

1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 131159061
(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 114030220
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
CID 112678597
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)propan-1-amine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)propan-1-amine (CID 103846012) is 1-(4-fluoro-2-iodophenyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)propan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)propan-1-amine is CCC(N)c1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)propan-1-amine?
The InChIKey is PRMUMWKNBDGZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FIN/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9H,2,12H2,1H3.
What are the key properties of 1-(4-fluoro-2-iodophenyl)propan-1-amine?
1-(4-fluoro-2-iodophenyl)propan-1-amine has a molecular weight of 279.10 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)propan-1-amine is sourced from PubChem (CID 103846012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).