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

C16H16F3NO — CID 114828733

IUPAC3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11(8-12-4-2-5-13(17)9-12)20-14-6-3-7-15(10-14)21-16(18)19/h2-7,9-11,16,20H,8H2,1H3
InChIKeyPFSGIOVZQVIORR-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.47
Rot. Bonds6

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

3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline (PubChem CID 114828733) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
PubChem CID114828733
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11(8-12-4-2-5-13(17)9-12)20-14-6-3-7-15(10-14)21-16(18)19/h2-7,9-11,16,20H,8H2,1H3
InChIKeyPFSGIOVZQVIORR-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

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
4-[1-(3-fluorophenyl)propan-2-ylamino]benzoic acid
CID 114828452
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495
2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 115917629
N-[1-(3-fluorophenyl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 115916645
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 115928990

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline (CID 114828733) is 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline is CC(Cc1cccc(F)c1)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The InChIKey is PFSGIOVZQVIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(8-12-4-2-5-13(17)9-12)20-14-6-3-7-15(10-14)21-16(18)19/h2-7,9-11,16,20H,8H2,1H3.
What are the key properties of 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
3-(difluoromethoxy)-N-[1-(3-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 3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114828733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).