N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline

C15H15FIN — CID 114828426

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
SMILESCC(Cc1ccccc1F)Nc1cccc(I)c1
InChIInChI=1S/C15H15FIN/c1-11(9-12-5-2-3-8-15(12)16)18-14-7-4-6-13(17)10-14/h2-8,10-11,18H,9H2,1H3
InChIKeyXTMXEPSKZISCHP-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline

N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline (PubChem CID 114828426) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
PubChem CID114828426
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
SMILESCC(Cc1ccccc1F)Nc1cccc(I)c1
InChIInChI=1S/C15H15FIN/c1-11(9-12-5-2-3-8-15(12)16)18-14-7-4-6-13(17)10-14/h2-8,10-11,18H,9H2,1H3
InChIKeyXTMXEPSKZISCHP-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.47
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-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830485
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 114827852
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine
CID 114828353
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline (CID 114828426) is N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline is CC(Cc1ccccc1F)Nc1cccc(I)c1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline?
The InChIKey is XTMXEPSKZISCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c1-11(9-12-5-2-3-8-15(12)16)18-14-7-4-6-13(17)10-14/h2-8,10-11,18H,9H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline?
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline has a molecular weight of 355.19 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline is sourced from PubChem (CID 114828426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).