2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline

C16H17F2NO2 — CID 60679690

IUPAC2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
SMILESFC(F)Oc1ccccc1NCCCOc1ccccc1
InChIInChI=1S/C16H17F2NO2/c17-16(18)21-15-10-5-4-9-14(15)19-11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10,16,19H,6,11-12H2
InChIKeyPPUWXCAWFSORHB-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.17
Rot. Bonds8

About 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline

2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline (PubChem CID 60679690) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
PubChem CID60679690
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
SMILESFC(F)Oc1ccccc1NCCCOc1ccccc1
InChIInChI=1S/C16H17F2NO2/c17-16(18)21-15-10-5-4-9-14(15)19-11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10,16,19H,6,11-12H2
InChIKeyPPUWXCAWFSORHB-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183
N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46444363
(E)-3-[2-(difluoromethoxy)phenyl]-N-(3-phenoxypropyl)prop-2-enamide
CID 33175801
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
N-(3-methoxypropyl)-2-phenoxyaniline
CID 54935925
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 106759609
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028
2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788816

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline (CID 60679690) is 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline is FC(F)Oc1ccccc1NCCCOc1ccccc1.
What is the InChIKey of 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline?
The InChIKey is PPUWXCAWFSORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-16(18)21-15-10-5-4-9-14(15)19-11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10,16,19H,6,11-12H2.
What are the key properties of 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline?
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline has a molecular weight of 293.31 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline is sourced from PubChem (CID 60679690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).