4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline

C16H16F3NO — CID 114828280

IUPAC4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-11(10-12-4-2-3-5-15(12)17)20-13-6-8-14(9-7-13)21-16(18)19/h2-9,11,16,20H,10H2,1H3
InChIKeyNCCNRBRNWZTLCW-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.47
Rot. Bonds6

About 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline

4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline (PubChem CID 114828280) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
PubChem CID114828280
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-11(10-12-4-2-3-5-15(12)17)20-13-6-8-14(9-7-13)21-16(18)19/h2-9,11,16,20H,10H2,1H3
InChIKeyNCCNRBRNWZTLCW-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 114827852
N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035433
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
4-(difluoromethoxy)-N-heptan-2-ylaniline
CID 43099613
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830485

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline (CID 114828280) is 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline is CC(Cc1ccccc1F)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The InChIKey is NCCNRBRNWZTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(10-12-4-2-3-5-15(12)17)20-13-6-8-14(9-7-13)21-16(18)19/h2-9,11,16,20H,10H2,1H3.
What are the key properties of 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114828280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).