4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline

C15H14F2IN — CID 112677053

IUPAC4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
SMILESCCC(Nc1ccc(F)cc1I)c1ccccc1F
InChIInChI=1S/C15H14F2IN/c1-2-14(11-5-3-4-6-12(11)17)19-15-8-7-10(16)9-13(15)18/h3-9,14,19H,2H2,1H3
InChIKeyKVJGQVSJUQLHCN-UHFFFAOYSA-N
MW373.18 g/mol
LogP5.13
Rot. Bonds4

About 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline

4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline (PubChem CID 112677053) has the molecular formula C15H14F2IN and a molecular weight of 373.18 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
PubChem CID112677053
Molecular FormulaC15H14F2IN
Molecular Weight373.18 g/mol
Exact Mass373.01
IUPAC Name4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
SMILESCCC(Nc1ccc(F)cc1I)c1ccccc1F
InChIInChI=1S/C15H14F2IN/c1-2-14(11-5-3-4-6-12(11)17)19-15-8-7-10(16)9-13(15)18/h3-9,14,19H,2H2,1H3
InChIKeyKVJGQVSJUQLHCN-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.18
LogP ≤ 55.13
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-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
CID 114871694
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline?
The IUPAC name of 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline (CID 112677053) is 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline.
What is the SMILES notation for 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline?
The canonical SMILES for 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline is CCC(Nc1ccc(F)cc1I)c1ccccc1F.
What is the InChIKey of 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline?
The InChIKey is KVJGQVSJUQLHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2IN/c1-2-14(11-5-3-4-6-12(11)17)19-15-8-7-10(16)9-13(15)18/h3-9,14,19H,2H2,1H3.
What are the key properties of 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline?
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline has a molecular weight of 373.18 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline is sourced from PubChem (CID 112677053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).