2-(difluoromethoxy)-N-(4-phenylbutyl)aniline

C17H19F2NO — CID 114333183

IUPAC2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
SMILESFC(F)Oc1ccccc1NCCCCc1ccccc1
InChIInChI=1S/C17H19F2NO/c18-17(19)21-16-12-5-4-11-15(16)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,17,20H,6-7,10,13H2
InChIKeyDJCRYSUSUVIUNX-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.72
Rot. Bonds8

About 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline

2-(difluoromethoxy)-N-(4-phenylbutyl)aniline (PubChem CID 114333183) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
PubChem CID114333183
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
SMILESFC(F)Oc1ccccc1NCCCCc1ccccc1
InChIInChI=1S/C17H19F2NO/c18-17(19)21-16-12-5-4-11-15(16)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,17,20H,6-7,10,13H2
InChIKeyDJCRYSUSUVIUNX-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 31669319
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788816
2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
2-(1-chloroethyl)-N-(4-phenylbutyl)aniline
CID 114334693
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
CID 65150664

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline (CID 114333183) is 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline is FC(F)Oc1ccccc1NCCCCc1ccccc1.
What is the InChIKey of 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline?
The InChIKey is DJCRYSUSUVIUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c18-17(19)21-16-12-5-4-11-15(16)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,17,20H,6-7,10,13H2.
What are the key properties of 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline?
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline has a molecular weight of 291.34 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 114333183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).