2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine

C10H13FIN — CID 117046684

IUPAC2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(I)c(F)c1
InChIInChI=1S/C10H13FIN/c1-10(2,6-13)7-3-4-9(12)8(11)5-7/h3-5H,6,13H2,1-2H3
InChIKeySNFJBXKUFPXSSN-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.67
Rot. Bonds2

About 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine

2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine (PubChem CID 117046684) has the molecular formula C10H13FIN and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine
PubChem CID117046684
Molecular FormulaC10H13FIN
Molecular Weight293.12 g/mol
Exact Mass293.01
IUPAC Name2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(I)c(F)c1
InChIInChI=1S/C10H13FIN/c1-10(2,6-13)7-3-4-9(12)8(11)5-7/h3-5H,6,13H2,1-2H3
InChIKeySNFJBXKUFPXSSN-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.67
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-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine
CID 83699270
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
2-[4-(3,5-difluorophenyl)phenyl]-2-methylpropan-1-amine
CID 82090474
methyl 2-(3-fluoro-4-iodophenyl)-2-methylpropanoate
CID 162427253
2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine
CID 116992430
2-(3-bromo-4-methylsulfanylphenyl)-2-methylpropan-1-amine
CID 105424605
2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
CID 82085168
2-(3,4-difluorophenyl)-2-methylbutan-1-amine
CID 83637662
2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
CID 82090050
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine (CID 117046684) is 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine is CC(C)(CN)c1ccc(I)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine?
The InChIKey is SNFJBXKUFPXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FIN/c1-10(2,6-13)7-3-4-9(12)8(11)5-7/h3-5H,6,13H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine?
2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine has a molecular weight of 293.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-iodophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 117046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).