4-fluoro-2-iodo-N-(1-phenylpentyl)aniline

C17H19FIN — CID 79769469

IUPAC4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccc(F)cc1I)c1ccccc1
InChIInChI=1S/C17H19FIN/c1-2-3-9-16(13-7-5-4-6-8-13)20-17-11-10-14(18)12-15(17)19/h4-8,10-12,16,20H,2-3,9H2,1H3
InChIKeyHVNWSWHJEGVWRQ-UHFFFAOYSA-N
MW383.25 g/mol
LogP5.77
Rot. Bonds6

About 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline

4-fluoro-2-iodo-N-(1-phenylpentyl)aniline (PubChem CID 79769469) has the molecular formula C17H19FIN and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
PubChem CID79769469
Molecular FormulaC17H19FIN
Molecular Weight383.25 g/mol
Exact Mass383.05
IUPAC Name4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccc(F)cc1I)c1ccccc1
InChIInChI=1S/C17H19FIN/c1-2-3-9-16(13-7-5-4-6-8-13)20-17-11-10-14(18)12-15(17)19/h4-8,10-12,16,20H,2-3,9H2,1H3
InChIKeyHVNWSWHJEGVWRQ-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.77
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-(4-fluoro-2-iodoanilino)-3-phenylpropanenitrile
CID 79769594
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
CID 114871694
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
CID 43787294

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline?
The IUPAC name of 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline (CID 79769469) is 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline is CCCCC(Nc1ccc(F)cc1I)c1ccccc1.
What is the InChIKey of 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline?
The InChIKey is HVNWSWHJEGVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FIN/c1-2-3-9-16(13-7-5-4-6-8-13)20-17-11-10-14(18)12-15(17)19/h4-8,10-12,16,20H,2-3,9H2,1H3.
What are the key properties of 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline?
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline has a molecular weight of 383.25 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(1-phenylpentyl)aniline is sourced from PubChem (CID 79769469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).