N-decyl-2-(difluoromethoxy)aniline

C17H27F2NO — CID 63489062

IUPACN-decyl-2-(difluoromethoxy)aniline
SMILESCCCCCCCCCCNc1ccccc1OC(F)F
InChIInChI=1S/C17H27F2NO/c1-2-3-4-5-6-7-8-11-14-20-15-12-9-10-13-16(15)21-17(18)19/h9-10,12-13,17,20H,2-8,11,14H2,1H3
InChIKeyXYCXSQOKYAHAFO-UHFFFAOYSA-N
MW299.40 g/mol
LogP5.84
Rot. Bonds12

About N-decyl-2-(difluoromethoxy)aniline

N-decyl-2-(difluoromethoxy)aniline (PubChem CID 63489062) has the molecular formula C17H27F2NO and a molecular weight of 299.40 g/mol. Its IUPAC name is N-decyl-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-decyl-2-(difluoromethoxy)aniline
PubChem CID63489062
Molecular FormulaC17H27F2NO
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC NameN-decyl-2-(difluoromethoxy)aniline
SMILESCCCCCCCCCCNc1ccccc1OC(F)F
InChIInChI=1S/C17H27F2NO/c1-2-3-4-5-6-7-8-11-14-20-15-12-9-10-13-16(15)21-17(18)19/h9-10,12-13,17,20H,2-8,11,14H2,1H3
InChIKeyXYCXSQOKYAHAFO-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 55.84
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

2-(difluoromethoxy)-N-hexylaniline
CID 28877775
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183
2-ethoxy-N-nonylaniline
CID 43129179
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
[2-(pentylamino)phenyl] propanoate
CID 90097401
butyl 2-[2-(difluoromethoxy)anilino]acetate
CID 60679734
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
4-(difluoromethoxy)-3-fluoro-N-octylaniline
CID 63449455

Frequently Asked Questions

What is the IUPAC name of N-decyl-2-(difluoromethoxy)aniline?
The IUPAC name of N-decyl-2-(difluoromethoxy)aniline (CID 63489062) is N-decyl-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-decyl-2-(difluoromethoxy)aniline?
The canonical SMILES for N-decyl-2-(difluoromethoxy)aniline is CCCCCCCCCCNc1ccccc1OC(F)F.
What is the InChIKey of N-decyl-2-(difluoromethoxy)aniline?
The InChIKey is XYCXSQOKYAHAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-2-3-4-5-6-7-8-11-14-20-15-12-9-10-13-16(15)21-17(18)19/h9-10,12-13,17,20H,2-8,11,14H2,1H3.
What are the key properties of N-decyl-2-(difluoromethoxy)aniline?
N-decyl-2-(difluoromethoxy)aniline has a molecular weight of 299.40 g/mol, XLogP of 5.84, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-(difluoromethoxy)aniline is sourced from PubChem (CID 63489062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).